Vitas-M small molecule compound
methyl 2-{[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Catalog ID
STK840252
SMILES COC(=O)C(Sc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C)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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-11-7-6-8-13(9-11)10-23-14-15(21(3)19(26)22(4)16(14)24)20-18(23)28-12(2)17(25)27-5/h6-9,12H,10H2,1-5H3InChIKey
OSHCFTBAOPNJIZ-UHFFFAOYSA-NSynonyms
371233-91-9371233919
CC1=CC(=CC=C1)CN2C3=C(N=C2SC(C)C(=O)OC)N(C(=O)N(C3=O)C)C
InChI=1SC19H22N4O4Sc11176813(911)10231415(21(3)19(26)22(4)16(14)24)2018(23)2812(2)17(25)275h6912H10H215H3
methyl2((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
methyl2((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
METHYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
METHYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLPROPANOATE
MFCD03006829
ZINC000000637152
ZINC000000637156
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