Vitas-M small molecule compound
ethyl 2-[(4E)-4-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL371643
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(OCC)c(c(c2)CC=C)OCc2ccccc2C#N)/C1=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 C31H30N4O5S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5S/c1-6-11-22-14-21(16-26(38-7-2)27(22)40-18-24-13-10-9-12-23(24)17-32)15-25-19(4)34-35(29(25)36)31-33-20(5)28(41-31)30(37)39-8-3/h6,9-10,12-16H,1,7-8,11,18H2,2-5H3/b25-15+InChIKey
SRSUWVXZCYQHDE-MFKUBSTISA-NSynonyms
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2cc(OCC)c(c(c2)CC=C)OCc2ccccc2C#N)C1=O)C
CCOC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)CC=C)C=C3C(=NN(C3=O)C4=NC(=C(S4)C(=O)OCC)C)C
ETHYL2((4E)4((4((2CYANOPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(4((2cyanobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2(4((4((2CYANOPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4(3ALLYL4((2CYANOBENZYL)OXY)5ETHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC31H30N4O5Sc1611221421(1626(3872)27(22)401824131091223(24)1732)152519(4)3435(29(25)36)313320(5)28(4131)30(37)3983h69101216H1781118H225H3b2515+
MFCD03271180
ZINC000008451634
ZINC08451634
ZINC8451634
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