Vitas-M small molecule compound
ethyl 2-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL170456
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C)C)C)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 C24H27N3O3S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O3S/c1-5-30-24(29)21-18-8-6-7-9-20(18)31-22(21)25-13-19-16(4)26-27(23(19)28)17-11-10-14(2)15(3)12-17/h10-13,25H,5-9H2,1-4H3/b19-13-InChIKey
BKTAWUBJJQZUCE-UYRXBGFRSA-NSynonyms
354540-27-5354540275
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC(=C(C=C4)C)C)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccc(c(c2)C)C)C)sc2c1CCCC2
ethyl2(((Z)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H27N3O3Sc153024(29)2118867920(18)3122(21)25131916(4)2627(23(19)28)17111014(2)15(3)1217h101325H59H214H3b1913
MFCD01019667
ZINC000100535535
ZINC100535535
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