Vitas-M small molecule compound
8-ethyl-8-methyl-3-(4-methylphenyl)-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STL035105
SMILES CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(=S)[nH]1)c1ccc(cc1)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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-4-20(3)10-16-13(11-25-20)9-15-17(21-16)22-19(26)23(18(15)24)14-7-5-12(2)6-8-14/h5-9H,4,10-11H2,1-3H3,(H,21,22,26)InChIKey
HPIKFZCADMHNBF-UHFFFAOYSA-NSynonyms
500271-40-9500271409
8ethyl8methyl3(4methylphenyl)2sulfanylidene69dihydro1Hpyrano(34)pyrido(35b)pyrimidin4one
8ethyl8methyl3(4methylphenyl)2thioxo123689hexahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(=S)(nH)1)c1ccc(cc1)C
CCC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=C(C=C4)C)C
InChI=1SC20H21N3O2Sc1420(3)101613(112520)91517(2116)2219(26)23(18(15)24)147512(2)6814h59H41011H213H3(H212226)
MFCD03817470
ZINC000100895077
ZINC000100895082
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