Vitas-M small molecule compound
ethyl 2-({(Z)-2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Catalog ID
STK804037
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(c(c2)C)C)/C#N)sc(c1C)C(=O)Nc1ccccc1
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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 C29H26N4O3S2 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3S2/c1-5-36-29(35)24-19(4)25(26(34)32-22-9-7-6-8-10-22)38-28(24)31-15-21(14-30)27-33-23(16-37-27)20-12-11-17(2)18(3)13-20/h6-13,15-16,31H,5H2,1-4H3,(H,32,34)/b21-15-InChIKey
LUNVSRCRFPWNOF-QNGOZBTKSA-NSynonyms
773865-37-5773865375
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC=C(C#N)C3=NC(=CS3)C4=CC(=C(C=C4)C)C
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(c(c2)C)C)C#N)sc(c1C)C(=O)Nc1ccccc1
ethyl2(((Z)2cyano2(4(34dimethylphenyl)13thiazol2yl)ethenyl)amino)4methyl5(phenylcarbamoyl)thiophene3carboxylate
InChI=1SC29H26N4O3S2c153629(35)2419(4)25(26(34)322297681022)3828(24)311521(1430)273323(163727)20121117(2)18(3)1320h613151631H5H214H3(H3234)b2115
MFCD06669478
ZINC000059528019
ZINC59528019
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