Vitas-M small molecule compound

methyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK418346
SMILES COc1ccc(cc1)/C=C/C(=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 C22H25NO4S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4S/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/h9-14H,3-8H2,1-2H3,(H,23,24)/b14-11+
InChIKey
IANBCBGMGLMSSI-SDNWHVSQSA-N
Synonyms
353765-07-8
353765078
COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2
InChI=1SC22H25NO4Sc1261612915(101316)111419(24)232120(22(25)272)1775346818(17)2821h914H38H212H3(H2324)b1411+
methyl2(((2E)3(4methoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((E)3(4methoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01834822
ZINC000004628667
ZINC04628667
ZINC4628667

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Available files

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