Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(4-methoxybenzyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK815894
SMILES COc1ccc(cc1)CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-5-16(3)29-24(31)20(34-25(29)33)13-19-21(26-14-17-8-10-18(32-4)11-9-17)27-22-15(2)7-6-12-28(22)23(19)30/h6-13,16,26H,5,14H2,1-4H3/b20-13-InChIKey
FXPAQVKUNMCVAK-MOSHPQCFSA-NSynonyms
(5Z)3BUTAN2YL5((2((4METHOXYPHENYL)METHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((4methoxybenzyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC4=CC=C(C=C4)OC)SC1=S
COc1ccc(cc1)CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C
InChI=1SC25H26N4O3S2c1516(3)2924(31)20(3425(29)33)131921(26141781018(324)11917)272215(2)761228(22)23(19)30h6131626H514H214H3b2013
MFCD03212762
ZINC000016805623
ZINC000016805624
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