Vitas-M small molecule compound
2-{[7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK805909
SMILES NC(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C
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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 C15H14ClN5O3S MW 379.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClN5O3S/c1-20-12-11(13(23)19-14(20)24)21(15(18-12)25-7-10(17)22)6-8-4-2-3-5-9(8)16/h2-5H,6-7H2,1H3,(H2,17,22)(H,19,23,24)InChIKey
KODCLAGALYDHOO-UHFFFAOYSA-NSynonyms
331841-50-02((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetamide
2(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
331841500
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3Cl
InChI=1SC15H14ClN5O3Sc1201211(13(23)1914(20)24)21(15(1812)25710(17)22)6842359(8)16h25H67H21H3(H21722)(H192324)
MFCD01051731
NC(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
ZINC000000628161
ZINC00628161
ZINC628161
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