Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799568
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)/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 C26H25N5O3S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S2/c1-3-11-31-25(33)21(36-26(31)35)17-20-23(27-22-6-4-5-12-30(22)24(20)32)29-15-13-28(14-16-29)18-7-9-19(34-2)10-8-18/h3-10,12,17H,1,11,13-16H2,2H3/b21-17-InChIKey
QXEWQRJUAZLHGR-FXBPSFAMSA-NSynonyms
(5Z)5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O
COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC=C
InChI=1SC26H25N5O3S2c13113125(33)21(3626(31)35)172023(27226451230(22)24(20)32)29151328(141629)187919(342)10818h3101217H1111316H22H3b2117
MFCD04446947
ZINC000016735050
ZINC16735050
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