Vitas-M small molecule compound
2-{[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
Catalog ID
STL388592
SMILES O=C(Nc1c(C)ccc2c1nsn2)CSc1nc2c(n1Cc1ccc(cc1)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 C23H20ClN7O3S2 MW 542.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN7O3S2/c1-12-4-9-15-18(28-36-27-15)17(12)25-16(32)11-35-22-26-20-19(21(33)30(3)23(34)29(20)2)31(22)10-13-5-7-14(24)8-6-13/h4-9H,10-11H2,1-3H3,(H,25,32)InChIKey
FQWRYCCLWBLUPE-UHFFFAOYSA-NSynonyms
2((7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(5methyl213benzothiadiazol4yl)acetamide
2(7((4chlorophenyl)methyl)13dimethyl26dioxopurin8yl)sulfanylN(5methyl213benzothiadiazol4yl)acetamide
CC1=C(C2=NSN=C2C=C1)NC(=O)CSC3=NC4=C(N3CC5=CC=C(C=C5)Cl)C(=O)N(C(=O)N4C)C
InChI=1SC23H20ClN7O3S2c112491518(28362715)17(12)2516(32)113522262019(21(33)30(3)23(34)29(20)2)31(22)10135714(24)8613h49H1011H213H3(H2532)
MFCD14713060
ZINC000033353713
ZINC33353713
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