Vitas-M small molecule compound
2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798928
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)/C1=O
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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 C26H24ClN5O2S2 MW 538.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5O2S2/c1-3-9-32-25(34)21(36-26(32)35)16-20-23(28-22-17(2)6-5-10-31(22)24(20)33)30-13-11-29(12-14-30)19-8-4-7-18(27)15-19/h3-8,10,15-16H,1,9,11-14H2,2H3/b21-16-InChIKey
NBVILDATDMUGNV-PGMHBOJBSA-NSynonyms
(5Z)5((2(4(3CHLOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(3chlorophenyl)piperazin1yl)9methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)C1=O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)C5=CC(=CC=C5)Cl
InChI=1SC26H24ClN5O2S2c1393225(34)21(3626(32)35)162023(282217(2)651031(22)24(20)33)30131129(121430)1984718(27)1519h38101516H191114H22H3b2116
MFCD03462145
ZINC000097946387
ZINC97946387
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