Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799342
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)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 C32H31N5O2S2 MW 581.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O2S2/c1-22-8-11-25(12-9-22)21-37-31(39)27(41-32(37)40)18-26-29(33-28-13-10-23(2)19-36(28)30(26)38)35-16-14-34(15-17-35)20-24-6-4-3-5-7-24/h3-13,18-19H,14-17,20-21H2,1-2H3/b27-18-InChIKey
DKMVIUSHCPKBBA-IMRQLAEWSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)7methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC(=CN4C3=O)C)N5CCN(CC5)CC6=CC=CC=C6)SC2=S
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C
InChI=1SC32H31N5O2S2c12281125(12922)213731(39)27(4132(37)40)182629(3328131023(2)1936(28)30(26)38)35161434(151735)20246435724h3131819H14172021H212H3b2718
MFCD03213023
ZINC000100763249
ZINC100763249
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