Vitas-M small molecule compound
N-benzyl-5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK533394
SMILES COc1ccc(c(c1)C1CC(=NN1C(=S)NCc1ccccc1)c1ccc(cc1)C)OC
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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 C26H27N3O2S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S/c1-18-9-11-20(12-10-18)23-16-24(22-15-21(30-2)13-14-25(22)31-3)29(28-23)26(32)27-17-19-7-5-4-6-8-19/h4-15,24H,16-17H2,1-3H3,(H,27,32)InChIKey
NJZYEWJKUAJHJB-UHFFFAOYSA-NSynonyms
(5(25DIMETHOXYPHENYL)3(4METHYLPHENYL)(2PYRAZOLINYL))(BENZYLAMINO)METHANE1THIONE
CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C=CC(=C3)OC)OC)C(=S)NCC4=CC=CC=C4
InChI=1SC26H27N3O2Sc11891120(121018)231624(221521(302)131425(22)313)29(2823)26(32)2717197546819h41524H1617H213H3(H2732)
MFCD02715341
NBENZYL3(25DIMETHOXYPHENYL)5(4METHYLPHENYL)34DIHYDROPYRAZOLE2CARBOTHIOAMIDE
Nbenzyl5(25dimethoxyphenyl)3(4methylphenyl)45dihydro1Hpyrazole1carbothioamide
Nbenzyl5(25dimethoxyphenyl)3(ptolyl)45dihydro1Hpyrazole1carbothioamide
ZINC000009354891
ZINC000012563151
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