Vitas-M small molecule compound
3-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methoxyphenoxy)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905102
SMILES COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)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 C31H25N5O5S2 MW 611.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O5S2/c1-18-9-8-16-34-26(18)32-27(41-22-14-12-21(40-4)13-15-22)23(28(34)37)17-24-29(38)35(31(42)43-24)25-19(2)33(3)36(30(25)39)20-10-6-5-7-11-20/h5-17H,1-4H3/b24-17-InChIKey
FJQJFISUFQSNGF-ULJHMMPZSA-NSynonyms
(5Z)3(15dimethyl3oxo2phenylpyrazol4yl)5((2(4methoxyphenoxy)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4methoxyphenoxy)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)OC6=CC=C(C=C6)OC
COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC31H25N5O5S2c11898163426(18)3227(4122141221(404)131522)23(28(34)37)172429(38)35(31(42)4324)2519(2)33(3)36(30(25)39)20106571120h517H14H3b2417
MFCD18076258
ZINC000097947393
ZINC97947393
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