Vitas-M small molecule compound
3-{[7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK699644
SMILES OC(=O)CCSc1nc2c(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 C16H15ClN4O4S MW 394.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O4S/c1-20-13-12(14(24)19-15(20)25)21(8-9-4-2-3-5-10(9)17)16(18-13)26-7-6-11(22)23/h2-5H,6-8H2,1H3,(H,22,23)(H,19,24,25)InChIKey
RTRQRBOUFSXJOQ-UHFFFAOYSA-NSynonyms
330181-02-73((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
330181027
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC3=CC=CC=C3Cl
InChI=1SC16H15ClN4O4Sc1201312(14(24)1915(20)25)21(89423510(9)17)16(1813)267611(22)23h25H68H21H3(H2223)(H192425)
MFCD01051733
OC(=O)CCSc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
ZINC000004032243
ZINC4032243
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