Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK882423
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2c(nc3n2cccc3)c2ccccc2)/C#N)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 C28H24N4O3S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3S/c1-2-35-28(34)24-20-12-6-7-13-22(20)36-27(24)31-26(33)19(17-29)16-21-25(18-10-4-3-5-11-18)30-23-14-8-9-15-32(21)23/h3-5,8-11,14-16H,2,6-7,12-13H2,1H3,(H,31,33)/b19-16+InChIKey
LHEGRLNQTXRXGU-KNTRCKAVSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N=C4N3C=CC=C4)C5=CC=CC=C5)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2c(nc3n2cccc3)c2ccccc2)C#N)sc2c1CCCC2
ethyl2(((2E)2cyano3(2phenylimidazo(12a)pyridin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(2phenylimidazo(12a)pyridin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H24N4O3Sc123528(34)242012671322(20)3627(24)3126(33)19(1729)162125(18104351118)302314891532(21)23h358111416H2671213H21H3(H3133)b1916+
MFCD06646168
ZINC000016742620
ZINC16742620
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