Vitas-M small molecule compound
{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK007122
SMILES OC(=O)CSc1nc2c(n1Cc1cccc(c1)Cl)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 C16H15ClN4O4S MW 394.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O4S/c1-19-13-12(14(24)20(2)16(19)25)21(15(18-13)26-8-11(22)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H,22,23)InChIKey
MSEIJQOZCQQWDD-UHFFFAOYSA-NSynonyms
((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETICACID
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC3=CC(=CC=C3)Cl
InChI=1SC16H15ClN4O4Sc1191312(14(24)20(2)16(19)25)21(15(1813)26811(22)23)7943510(17)69h36H78H212H3(H2223)
MFCD02648543
OC(=O)CSc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C
STK007122
ZINC000000693198
ZINC693198
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