VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(3,4-dimethoxyphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK583891
SMILES COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-33-17-8-7-12(9-18(17)34-2)23-22-14-10-15(24(22)35-29-23)21-20(14)25(31)30(26(21)32)27-16(11-28)13-5-3-4-6-19(13)36-27/h7-9,14-15,20-22,24H,3-6,10H2,1-2H3/t14-,15+,20+,21-,22+,24+/m0/s1
InChIKey
ISHGIAAYFOOEAK-FOKFIGJLSA-N
Synonyms
1164563-07-8
1164563078
2((3aR4R4aR7aS8R8aR)3(34dimethoxyphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR4R4aR7aS8R8aR)3(34dimethoxyphenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
COC1=C(C=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)C6=C(C7=C(S6)CCCC7)C#N)OC
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2
InChI=1SC27H25N3O5Sc133178712(918(17)342)2322141015(24(22)352923)2120(14)25(31)30(26(21)32)2716(1128)13534619(13)3627h791415202224H3610H212H3t1415+2021+2224m1s1
MFCD18245735
ZINC000008773110

Check stock

See real-time availability and sample size for STK583891 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS