Vitas-M small molecule compound
ethyl 4-{[3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK733021
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)c1ccccc1)COc1ccccc1
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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 C23H27N5O3S MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O3S/c1-2-30-23(29)26-15-13-25(14-16-26)18-27-22(32)28(19-9-5-3-6-10-19)21(24-27)17-31-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3InChIKey
FBLRKUIIDHFTFQ-UHFFFAOYSA-NSynonyms
311791-75-0311791750
CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4
ETHYL4((3(PHENOXYMETHYL)4PHENYL5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ETHYL4((3(PHENOXYMETHYL)4PHENYL5THIOXO45DIHYDRO1H124TRIAZOL1YL)METHYL)1PIPERAZINECARBOXYLATE
ethyl4((3(phenoxymethyl)4phenyl5thioxo45dihydro1H124triazol1yl)methyl)piperazine1carboxylate
InChI=1SC23H27N5O3Sc123023(29)26151325(141626)182722(32)28(1995361019)21(2427)173120117481220h312H21318H21H3
MFCD01207071
ZINC000019818240
ZINC19818240
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