Vitas-M small molecule compound
3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(4-methylbenzyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK704150
SMILES COCCCN1C(=S)S/C(=C\c2c(NCc3ccc(cc3)C)nc3n(c2=O)cc(cc3)C)/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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-16-5-8-18(9-6-16)14-26-22-19(23(30)29-15-17(2)7-10-21(29)27-22)13-20-24(31)28(25(33)34-20)11-4-12-32-3/h5-10,13,15,26H,4,11-12,14H2,1-3H3/b20-13-InChIKey
KTWNCDANKHOABQ-MOSHPQCFSA-NSynonyms
(5Z)3(3METHOXYPROPYL)5((7METHYL2((4METHYLPHENYL)METHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2((4methylbenzyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CNC2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CCCOC
COCCCN1C(=S)SC(=Cc2c(NCc3ccc(cc3)C)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC25H26N4O3S2c1165818(9616)14262219(23(30)291517(2)71021(29)2722)132024(31)28(25(33)3420)11412323h510131526H4111214H213H3b2013
MFCD03212719
ZINC000016734244
ZINC16734244
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