Vitas-M small molecule compound
ethyl 5-acetyl-2-{[(Z)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STL339239
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)CC(C)C)/C#N)sc(c1C)C(=O)C
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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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-6-32-26(31)22-16(4)23(17(5)30)34-25(22)28-13-20(12-27)24-29-21(14-33-24)19-9-7-18(8-10-19)11-15(2)3/h7-10,13-15,28H,6,11H2,1-5H3/b20-13-InChIKey
NXQQJTWGOHWSDC-MOSHPQCFSA-NSynonyms
840512-54-1(Z)ethyl5acetyl2((2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)amino)4methylthiophene3carboxylate
840512541
CCOC(=O)C1=C(SC(=C1C)C(=O)C)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)C
ethyl5acetyl2(((Z)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)4methylthiophene3carboxylate
InChI=1SC26H27N3O3S2c163226(31)2216(4)23(17(5)30)3425(22)281320(1227)242921(143324)199718(81019)1115(2)3h710131528H611H215H3b2013
MFCD04009764
ZINC000002265919
ZINC02265919
ZINC2265919
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