Vitas-M small molecule compound
7-chloro-2-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK497074
SMILES Cc1ccc(cc1)n1c(SCc2cc(=O)n3c(n2)ccc(c3)Cl)nc2c1nc[nH]c2=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 C21H15ClN6O2S MW 450.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN6O2S/c1-12-2-5-15(6-3-12)28-19-18(20(30)24-11-23-19)26-21(28)31-10-14-8-17(29)27-9-13(22)4-7-16(27)25-14/h2-9,11H,10H2,1H3,(H,23,24,30)InChIKey
VMQPGXPKNMZYIA-UHFFFAOYSA-NSynonyms
7chloro2(((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)methyl)4Hpyrido(12a)pyrimidin4one
7chloro2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanylmethyl)pyrido(12a)pyrimidin4one
8((7CHLORO4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))METHYLTHIO)9(4METHYLPHENYL)HYDROPURIN6ONE
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl
Cc1ccc(cc1)n1c(SCc2cc(=O)n3c(n2)ccc(c3)Cl)nc2c1nc(nH)c2=O
InChI=1SC21H15ClN6O2Sc1122515(6312)281918(20(30)24112319)2621(28)311014817(29)27913(22)4716(27)2514h2911H10H21H3(H232430)
MFCD09788471
ZINC000012462151
ZINC12462151
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