Vitas-M small molecule compound
diethyl 5-{[(Z)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK803916
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)CC(C)C)/C#N)sc(c1C)C(=O)OCC
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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 C27H29N3O4S2 MW 523.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S2/c1-6-33-26(31)22-17(5)23(27(32)34-7-2)36-25(22)29-14-20(13-28)24-30-21(15-35-24)19-10-8-18(9-11-19)12-16(3)4/h8-11,14-16,29H,6-7,12H2,1-5H3/b20-14-InChIKey
CFRMJXPXPUCVIG-ZHZULCJRSA-NSynonyms
573950-85-3(Z)diethyl5((2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
573950853
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)CC(C)C)C#N)sc(c1C)C(=O)OCC
diethyl5(((Z)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
InChI=1SC27H29N3O4S2c163326(31)2217(5)23(27(32)3472)3625(22)291420(1328)243021(153524)1910818(91119)1216(3)4h811141629H6712H215H3b2014
MFCD04021416
ZINC000002323030
ZINC02323030
ZINC2323030
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