Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-7-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK817822
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)/C=C/1\SC(=S)N(C1=O)C(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 C32H31N5O2S2 MW 581.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O2S2/c1-22-13-14-28-33-29(35-17-15-34(16-18-35)21-24-9-5-3-6-10-24)26(30(38)36(28)20-22)19-27-31(39)37(32(40)41-27)23(2)25-11-7-4-8-12-25/h3-14,19-20,23H,15-18,21H2,1-2H3/b27-19-InChIKey
DMRQFIZEEYVIHV-DIBXZPPDSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)7methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)CC6=CC=CC=C6)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)C=C1SC(=S)N(C1=O)C(c1ccccc1)C
InChI=1SC32H31N5O2S2c1221314283329(35171534(161835)212495361024)26(30(38)36(28)2022)192731(39)37(32(40)4127)23(2)25117481225h314192023H151821H212H3b2719
MFCD02992200
ZINC000100762030
ZINC000100762035
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