Vitas-M small molecule compound
methyl 2-{[3-(4-methoxyphenyl)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK441551
SMILES COc1ccc(cc1)CCC(=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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-26-16-12-9-15(10-13-16)11-14-19(24)23-21-20(22(25)27-2)17-7-5-3-4-6-8-18(17)28-21/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,23,24)InChIKey
PTRLQILIVBNPMD-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC22H27NO4Sc1261612915(101316)111419(24)232120(22(25)272)1775346818(17)2821h9101213H381114H212H3(H2324)
methyl2((3(4methoxyphenyl)propanoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(4methoxyphenyl)propanoylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01336330
ZINC000004611512
ZINC04611512
ZINC4611512
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.