Vitas-M small molecule compound
methyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438442
SMILES COc1ccc(cc1OC)CC(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2
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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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-26-16-11-10-14(12-17(16)27-2)13-19(24)23-21-20(22(25)28-3)15-8-6-4-5-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24)InChIKey
FYJYXDLYCJGLPZ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)OC
InChI=1SC22H27NO5Sc12616111014(1217(16)272)1319(24)232120(22(25)283)1586457918(15)2921h1012H4913H213H3(H2324)
methyl2(((34dimethoxyphenyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(34dimethoxyphenyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD02174093
ZINC000000669377
ZINC00669377
ZINC669377
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.