Vitas-M small molecule compound
{[7-(3-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK638140
SMILES OC(=O)CSc1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=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 C15H13ClN4O4S MW 380.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4O4S/c1-19-12-11(13(23)18-14(19)24)20(15(17-12)25-7-10(21)22)6-8-3-2-4-9(16)5-8/h2-5H,6-7H2,1H3,(H,21,22)(H,18,23,24)InChIKey
GPNGDQWALHECOS-UHFFFAOYSA-NSynonyms
368889-01-4((7(3chlorobenzyl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)aceticacid
2(7((3CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
368889014
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC(=CC=C3)Cl
InChI=1SC15H13ClN4O4Sc1191211(13(23)1814(19)24)20(15(1712)25710(21)22)683249(16)58h25H67H21H3(H2122)(H182324)
MFCD18161596
ZINC000013739396
ZINC13739396
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