Vitas-M small molecule compound
2-[(4-methoxybenzyl)amino]-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Catalog ID
STK030053
SMILES COc1ccc(cc1)CNC1=C(C(=O)CC(C1)(C)C)C(=S)Nc1ccccc1
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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 C23H26N2O2S MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O2S/c1-23(2)13-19(24-15-16-9-11-18(27-3)12-10-16)21(20(26)14-23)22(28)25-17-7-5-4-6-8-17/h4-12,24H,13-15H2,1-3H3,(H,25,28)InChIKey
ZKLMWGIWHXLPSH-UHFFFAOYSA-NSynonyms
2((4METHOXYBENZYL)AMINO)44DIMETHYL6OXONPHENYLCYCLOHEX1ENE1CARBOTHIOAMIDE
2((4METHOXYPHENYL)METHYLAMINO)44DIMETHYL6OXONPHENYLCYCLOHEXENE1CARBOTHIOAMIDE
CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC=C(C=C3)OC)C
COc1ccc(cc1)CNC1=C(C(=O)CC(C1)(C)C)C(=S)Nc1ccccc1
InChI=1SC23H26N2O2Sc123(2)1319(24151691118(273)121016)21(20(26)1423)22(28)25177546817h41224H1315H213H3(H2528)
MFCD03488782
STK030053
ZINC000100139912
ZINC100139912
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