Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-7-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810176
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCC(CC1)Cc1ccccc1)/C=C/1\SC(=S)N(C1=O)C(C)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 C28H30N4O2S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S2/c1-18(2)32-27(34)23(36-28(32)35)16-22-25(29-24-10-9-19(3)17-31(24)26(22)33)30-13-11-21(12-14-30)15-20-7-5-4-6-8-20/h4-10,16-18,21H,11-15H2,1-3H3/b23-16-InChIKey
GACRVTBNUZLVRC-KQWNVCNZSA-NSynonyms
(5Z)5((2(4BENZYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperidin1yl)7methyl3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C)N4CCC(CC4)CC5=CC=CC=C5)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCC(CC1)Cc1ccccc1)C=C1SC(=S)N(C1=O)C(C)C
InChI=1SC28H30N4O2S2c118(2)3227(34)23(3628(32)35)162225(292410919(3)1731(24)26(22)33)30131121(121430)15207546820h410161821H1115H213H3b2316
MFCD03462483
ZINC000002672300
ZINC02672300
ZINC2672300
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