Vitas-M small molecule compound
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
Catalog ID
STL402652
SMILES CCn1c(SCC(=O)Nc2nn(cc2Cl)Cc2ccccc2)nc2c(c1=O)nn(c2)CC
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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 C21H22ClN7O2S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN7O2S/c1-3-27-12-16-18(25-27)20(31)29(4-2)21(23-16)32-13-17(30)24-19-15(22)11-28(26-19)10-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,26,30)InChIKey
WJAUBWIMRVMZIC-UHFFFAOYSA-NSynonyms
1005678-98-71005678987
CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4)CC
InChI=1SC21H22ClN7O2Sc1327121618(2527)20(31)29(42)21(2316)321317(30)241915(22)1128(2619)10148657914h591112H341013H212H3(H242630)
MFCD04053048
N(1benzyl4chloro1Hpyrazol3yl)2((26diethyl7oxo67dihydro2Hpyrazolo(43d)pyrimidin5yl)sulfanyl)acetamide
N(1BENZYL4CHLOROPYRAZOL3YL)2(26DIETHYL7OXOPYRAZOLO(43D)PYRIMIDIN5YL)SULFANYLACETAMIDE
ZINC000002802462
ZINC02802462
ZINC2802462
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