Vitas-M small molecule compound
2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-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
STK593142
SMILES COc1ccc(c(c1)OC)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
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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/c1-33-12-7-8-14(18(9-12)34-2)23-22-15-10-16(24(22)35-29-23)21-20(15)25(31)30(26(21)32)27-17(11-28)13-5-3-4-6-19(13)36-27/h7-9,15-16,20-22,24H,3-6,10H2,1-2H3/t15-,16+,20+,21-,22+,24+/m0/s1InChIKey
HRJACMSOZXXSMY-GTXSQYAOSA-NSynonyms
1013981-10-61013981106
2((3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
COc1ccc(c(c1)OC)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
COc1ccc(c(c1)OC)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
MFCD18245957
ZINC000101261488
Check stock
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