Vitas-M small molecule compound
2-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK134392
SMILES O=C(Nc1ccccc1C(=O)O)CSc1nc2c(n1Cc1ccccc1Cl)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 C23H20ClN5O5S MW 513.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O5S/c1-27-19-18(20(31)28(2)23(27)34)29(11-13-7-3-5-9-15(13)24)22(26-19)35-12-17(30)25-16-10-6-4-8-14(16)21(32)33/h3-10H,11-12H2,1-2H3,(H,25,30)(H,32,33)InChIKey
LCNOOTJUQZOFFX-UHFFFAOYSA-NSynonyms
2((((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)benzoicacid
2((2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)BENZOICACID
2(2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETYLAMINO)BENZOICACID
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)O)CC4=CC=CC=C4Cl
InChI=1SC23H20ClN5O5Sc1271918(20(31)28(2)23(27)34)29(1113735915(13)24)22(2619)351217(30)25161064814(16)21(32)33h310H1112H212H3(H2530)(H3233)
MFCD03855040
ZINC000003627117
ZINC3627117
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