Vitas-M small molecule compound
3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK580676
SMILES CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-3-36-17-7-12-32-27(35)23(38-28(32)37)18-22-25(29-24-11-10-20(2)19-33(24)26(22)34)31-15-13-30(14-16-31)21-8-5-4-6-9-21/h4-6,8-11,18-19H,3,7,12-17H2,1-2H3/b23-18-InChIKey
NFOSHKZCDZCCCM-NKFKGCMQSA-NSynonyms
638133-98-9(5Z)3(3ETHOXYPROPYL)5((7METHYL4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3ethoxypropyl)5((7methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
3(3ETHOXYPROPYL)5((7METHYL4OXO2(4PHENYLPIPERAZINYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
638133989
CCOCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)C1=O
InChI=1SC28H31N5O3S2c1336177123227(35)23(3828(32)37)182225(2924111020(2)1933(24)26(22)34)31151330(141631)218546921h468111819H371217H212H3b2318
MFCD03667620
ZINC000100870529
ZINC100870529
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