Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-9-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
STK533176
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)/C(=O)N1C(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/c1-22-10-9-15-36-28(22)33-29(35-18-16-34(17-19-35)21-24-11-5-3-6-12-24)26(30(36)38)20-27-31(39)37(32(40)41-27)23(2)25-13-7-4-8-14-25/h3-15,20,23H,16-19,21H2,1-2H3/b27-20-InChIKey
CTUUNUZDDDOSEO-OOAXWGSJSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2(4benzylpiperazin1yl)9methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)CC6=CC=CC=C6
InChI=1SC32H31N5O2S2c122109153628(22)3329(35181634(171935)2124115361224)26(30(36)38)202731(39)37(32(40)4127)23(2)25137481425h3152023H161921H212H3b2720
MFCD01955220
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C(=O)N1C(c1ccccc1)C
ZINC000100642352
ZINC000100642354
Check stock
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