Vitas-M small molecule compound
ethyl 4-(3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Catalog ID
STK704093
SMILES CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC(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 C23H27N5O4S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O4S2/c1-4-32-22(31)26-11-9-25(10-12-26)19-16(20(29)27-8-6-5-7-18(27)24-19)13-17-21(30)28(14-15(2)3)23(33)34-17/h5-8,13,15H,4,9-12,14H2,1-3H3/b17-13-InChIKey
CXFBMSXEDPOWTM-LGMDPLHJSA-NSynonyms
CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CC(C)C
CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC(C)C
ETHYL4(3((Z)(3(2METHYLPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC23H27N5O4S2c143222(31)2611925(101226)1916(20(29)27865718(27)2419)131721(30)28(1415(2)3)23(33)3417h581315H491214H213H3b1713
MFCD03662909
ZINC000016734210
ZINC16734210
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