Vitas-M small molecule compound
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(1-hydroxybutan-2-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK801233
SMILES CCC(Nc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl)CO
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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 C23H21ClN4O3S2 MW 501.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S2/c1-2-15(13-29)25-20-16(21(30)27-10-6-5-9-19(27)26-20)11-18-22(31)28(23(32)33-18)12-14-7-3-4-8-17(14)24/h3-11,15,25,29H,2,12-13H2,1H3/b18-11-InChIKey
WVVHHZBWPCEYNW-WQRHYEAKSA-NSynonyms
(5Z)3((2chlorophenyl)methyl)5((2(1hydroxybutan2ylamino)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(2chlorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((1hydroxybutan2yl)amino)4Hpyrido(12a)pyrimidin4one
CCC(CO)NC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl
CCC(Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1Cl)CO
InChI=1SC23H21ClN4O3S2c1215(1329)252016(21(30)271065919(27)2620)111822(31)28(23(32)3318)1214734817(14)24h311152529H21213H21H3b1811
MFCD04447364
ZINC000016736185
ZINC000016736188
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