Vitas-M small molecule compound
methyl [9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Catalog ID
STK853607
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cccc(c1C)Cl
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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 C20H22ClN5O4 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O4/c1-11-8-24(14-7-5-6-13(21)12(14)2)19-22-17-16(25(19)9-11)18(28)26(10-15(27)30-4)20(29)23(17)3/h5-7,11H,8-10H2,1-4H3InChIKey
URNKSPDGODBVCP-UHFFFAOYSA-NSynonyms
876901-04-1876901041
CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)OC)C4=C(C(=CC=C4)Cl)C
InChI=1SC20H22ClN5O4c111824(1475613(21)12(14)2)19221716(25(19)911)18(28)26(1015(27)304)20(29)23(17)3h5711H810H214H3
methyl(9(3chloro2methylphenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
methyl2(9(3chloro2methylphenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
METHYL2(9(3CHLORO2METHYLPHENYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
METHYL2(9(3CHLORO2METHYLPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
MFCD05963511
ZINC000006177647
ZINC000006177649
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