Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949498
SMILES N#C/C(=C\c1ccc(cc1)F)/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)17-15-4-2-3-5-16(15)27-19(17)23-18(24)13(11-22)10-12-6-8-14(21)9-7-12/h6-10H,2-5H2,1H3,(H,23,24)/b13-10+InChIKey
OFPDOYRIURNVCJ-JLHYYAGUSA-NSynonyms
638144-03-3638144033
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)F)C#N
InChI=1SC20H17FN2O3Sc12620(25)1715423516(15)2719(17)2318(24)13(1122)10126814(21)9712h610H25H21H3(H2324)b1310+
methyl2(((2E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04179276
N#CC(=Cc1ccc(cc1)F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001453388
ZINC01453388
ZINC1453388
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