Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-1-carboxylate
Catalog ID
STL309917
SMILES CCOC(=O)n1nc(c2c1N=C(O)CSC2c1ccc(cc1)Cl)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 C16H16ClN3O3S MW 365.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3O3S/c1-3-23-16(22)20-15-13(9(2)19-20)14(24-8-12(21)18-15)10-4-6-11(17)7-5-10/h4-7,14H,3,8H2,1-2H3,(H,18,21)InChIKey
BQTYACDJSYIAES-UHFFFAOYSA-NSynonyms
ethyl4(4chlorophenyl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepine1carboxylate
MFCD28025218
ZINC000095472945
ZINC000095472946
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