Vitas-M small molecule compound
methyl 2-({[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK743789
SMILES CCCCn1c(SCC(=O)Nc2cc(OC)c(cc2C(=O)OC)OC)nc2c1c(=O)n(c(=O)n2C)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 C23H29N5O7S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O7S/c1-7-8-9-28-18-19(26(2)23(32)27(3)20(18)30)25-22(28)36-12-17(29)24-14-11-16(34-5)15(33-4)10-13(14)21(31)35-6/h10-11H,7-9,12H2,1-6H3,(H,24,29)InChIKey
YSHUVWXIEWPYDX-UHFFFAOYSA-NSynonyms
CCCCN1C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)N(C(=O)N(C2=O)C)C
InChI=1SC23H29N5O7Sc1789281819(26(2)23(32)27(3)20(18)30)2522(28)361217(29)24141116(345)15(334)1013(14)21(31)356h1011H7912H216H3(H2429)
methyl2((((7butyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)45dimethoxybenzoate
METHYL2((2(7BUTYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)45DIMETHOXYBENZOATE
MFCD05855056
ZINC000010003447
ZINC10003447
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