Vitas-M small molecule compound
9-methyl-2-[(4-methylbenzyl)amino]-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811681
SMILES Cc1ccc(cc1)CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-16-7-9-18(10-8-16)14-27-22-20(24(31)29-11-3-5-17(2)23(29)28-22)13-21-25(32)30(26(34)35-21)15-19-6-4-12-33-19/h3,5,7-11,13,19,27H,4,6,12,14-15H2,1-2H3/b21-13-InChIKey
INLOGMAYRDQIGH-BKUYFWCQSA-NSynonyms
(5Z)5((9METHYL2((4METHYLPHENYL)METHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
9methyl2((4methylbenzyl)amino)3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CNC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CC5CCCO5
InChI=1SC26H26N4O3S2c1167918(10816)14272220(24(31)29113517(2)23(29)2822)132125(32)30(26(34)3521)151964123319h35711131927H46121415H212H3b2113
MFCD03212704
ZINC000002390541
ZINC000016713736
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