Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-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
STK703884
SMILES OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-18-7-6-10-31-23(18)28-24(30-13-11-29(12-14-30)15-16-33)21(25(31)34)17-22-26(35)32(27(36)37-22)19(2)20-8-4-3-5-9-20/h3-10,17,19,33H,11-16H2,1-2H3/b22-17-InChIKey
FIPNOCXUXRPFGK-XLNRJJMWSA-NSynonyms
477734-59-1(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)9methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
477734591
5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)CCO
InChI=1SC27H29N5O3S2c11876103123(18)2824(30131129(121430)151633)21(25(31)34)172226(35)32(27(36)3722)19(2)208435920h310171933H1116H212H3b2217
MFCD03301080
OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
ZINC000002346285
ZINC000100770350
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