Vitas-M small molecule compound
2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK798561
SMILES C=CCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2
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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 C21H21ClN2O2S MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S/c1-2-13-23-20(26)19-15-8-4-6-10-17(15)27-21(19)24-18(25)12-11-14-7-3-5-9-16(14)22/h2-3,5,7,9,11-12H,1,4,6,8,10,13H2,(H,23,26)(H,24,25)/b12-11+InChIKey
TWSMPNNDGXKFMC-VAWYXSNFSA-NSynonyms
2(((2E)3(2chlorophenyl)prop2enoyl)amino)N(prop2en1yl)4567tetrahydro1benzothiophene3carboxamide
2(((E)3(2chlorophenyl)prop2enoyl)amino)Nprop2enyl4567tetrahydro1benzothiophene3carboxamide
C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3Cl
C=CCNC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CCCC2
InChI=1SC21H21ClN2O2Sc12132320(26)19158461017(15)2721(19)2418(25)121114735916(14)22h235791112H14681013H2(H2326)(H2425)b1211+
MFCD03462001
ZINC000002668417
ZINC02668417
ZINC2668417
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