Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949497
SMILES N#C/C(=C\c1ccccc1F)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C20H17FN2O3S MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN2O3S/c1-26-20(25)17-14-7-3-5-9-16(14)27-19(17)23-18(24)13(11-22)10-12-6-2-4-8-15(12)21/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,23,24)/b13-10+InChIKey
YSGQJFVPGCEMKO-JLHYYAGUSA-NSynonyms
638144-01-1638144011
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC=C3F)C#N
InChI=1SC20H17FN2O3Sc12620(25)1714735916(14)2719(17)2318(24)13(1122)1012624815(12)21h246810H3579H21H3(H2324)b1310+
methyl2(((2E)2cyano3(2fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(2fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04189920
N#CC(=Cc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001453386
ZINC01453386
ZINC1453386
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