Vitas-M small molecule compound
ethyl 4-{[3-(3-bromophenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK664415
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)c1ccccc1)c1cccc(c1)Br
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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 C22H24BrN5O2S MW 502.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN5O2S/c1-2-30-22(29)26-13-11-25(12-14-26)16-27-21(31)28(19-9-4-3-5-10-19)20(24-27)17-7-6-8-18(23)15-17/h3-10,15H,2,11-14,16H2,1H3InChIKey
JXJMVKFDRODCNP-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
ETHYL4((3(3BROMOPHENYL)4PHENYL5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((3(3bromophenyl)4phenyl5thioxo45dihydro1H124triazol1yl)methyl)piperazine1carboxylate
InChI=1SC22H24BrN5O2Sc123022(29)26131125(121426)162721(31)28(1994351019)20(2427)1776818(23)1517h31015H2111416H21H3
MFCD01305897
ZINC000019418824
ZINC19418824
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