Vitas-M small molecule compound
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-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
STK705768
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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/c1-3-9-31-25(34)21(36-26(31)35)15-20-23(28-22-8-7-17(2)16-32(22)24(20)33)30-12-10-29(11-13-30)19-6-4-5-18(27)14-19/h3-8,14-16H,1,9-13H2,2H3/b21-15-InChIKey
IODXDSSSNSCPMG-QNGOZBTKSA-NSynonyms
(5Z)5((2(4(3chlorophenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
2(4(3chlorophenyl)piperazin1yl)7methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2cccc(c2)Cl)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)C5=CC(=CC=C5)Cl)C=C1
InChI=1SC26H24ClN5O2S2c1393125(34)21(3626(31)35)152023(28228717(2)1632(22)24(20)33)30121029(111330)1964518(27)1419h381416H1913H22H3b2115
MFCD04446831
ZINC000100762297
ZINC100762297
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