Vitas-M small molecule compound
ethyl 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
Catalog ID
STL336232
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(CC2)C(=O)OCC)/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 C27H34N4O4S2 MW 542.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O4S2/c1-4-6-7-8-13-31-25(33)21(37-27(31)36)17-20-23(28-22-18(3)10-9-14-30(22)24(20)32)29-15-11-19(12-16-29)26(34)35-5-2/h9-10,14,17,19H,4-8,11-13,15-16H2,1-3H3/b21-17-InChIKey
VCNRCIKSDRNNON-FXBPSFAMSA-NSynonyms
615271-82-4(Z)ethyl1(3((3hexyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615271824
CCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)C(=O)OCC)C1=O
ETHYL1(3((3HEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC27H34N4O4S2c14678133125(33)21(3727(31)36)172023(282218(3)1091430(22)24(20)32)29151119(121629)26(34)3552h910141719H4811131516H213H3b2117
MFCD03664393
ZINC000100860897
ZINC100860897
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