Vitas-M small molecule compound
2-{(3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)-3-methoxyphenyl]-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
STK594317
SMILES COc1cc(ccc1OCc1ccccc1)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 C33H29N3O5S MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5S/c1-39-24-13-18(11-12-23(24)40-16-17-7-3-2-4-8-17)29-28-20-14-21(30(28)41-35-29)27-26(20)31(37)36(32(27)38)33-22(15-34)19-9-5-6-10-25(19)42-33/h2-4,7-8,11-13,20-21,26-28,30H,5-6,9-10,14,16H2,1H3/t20-,21+,26+,27-,28+,30+/m0/s1InChIKey
BCHAIUYJSRUPKR-YSRQBBRGSA-NSynonyms
1212373-96-01212373960
2((3aR4R4aR7aS8R8aR)3(4(benzyloxy)3methoxyphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR4R4aR7aS8R8aR)3(4(benzyloxy)3methoxyphenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
COc1cc(ccc1OCc1ccccc1)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(ccc1OCc1ccccc1)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
MFCD18158453
ZINC000101670540
Check stock
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Check stock on Vitas-MAvailable files
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