Vitas-M small molecule compound
methyl 2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK419026
SMILES COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCCCC2
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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 C21H21ClFNO3S MW 421.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFNO3S/c1-27-21(26)19-14-7-4-2-3-5-10-17(14)28-20(19)24-18(25)12-11-13-15(22)8-6-9-16(13)23/h6,8-9,11-12H,2-5,7,10H2,1H3,(H,24,25)/b12-11+InChIKey
MIIKQDYFDXTNLQ-VAWYXSNFSA-NSynonyms
352678-43-4352678434
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=C(C=CC=C3Cl)F
COC(=O)c1c(NC(=O)C=Cc2c(F)cccc2Cl)sc2c1CCCCCC2
InChI=1SC21H21ClFNO3Sc12721(26)1914742351017(14)2820(19)2418(25)12111315(22)86916(13)23h6891112H25710H21H3(H2425)b1211+
methyl2(((2E)3(2chloro6fluorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((E)3(2chloro6fluorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01345715
ZINC000002081837
ZINC02081837
ZINC2081837
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