Vitas-M small molecule compound
5-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}pentanenitrile
Catalog ID
STK770960
SMILES N#CCCCCSc1nc2c(n1Cc1ccc(c(c1)OCC)OCC)c(=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 C23H29N5O4S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4S/c1-5-31-17-11-10-16(14-18(17)32-6-2)15-28-19-20(26(3)23(30)27(4)21(19)29)25-22(28)33-13-9-7-8-12-24/h10-11,14H,5-9,13,15H2,1-4H3InChIKey
BXEMEFJBLWPSKU-UHFFFAOYSA-NSynonyms
5((7(34diethoxybenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)pentanenitrile
5(7((34DIETHOXYPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLPENTANENITRILE
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCCCCC#N)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC23H29N5O4Sc153117111016(1418(17)3262)15281920(26(3)23(30)27(4)21(19)29)2522(28)33139781224h101114H591315H214H3
MFCD03766759
ZINC000012412224
ZINC12412224
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