Vitas-M small molecule compound
N-(4-acetylphenyl)-2-(benzylamino)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Catalog ID
STK207047
SMILES CC(=O)c1ccc(cc1)NC(=S)C1=C(NCc2ccccc2)CC(CC1=O)(C)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 C24H26N2O2S MW 406.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O2S/c1-16(27)18-9-11-19(12-10-18)26-23(29)22-20(13-24(2,3)14-21(22)28)25-15-17-7-5-4-6-8-17/h4-12,25H,13-15H2,1-3H3,(H,26,29)InChIKey
CNNWPVBEQCSDQS-UHFFFAOYSA-NSynonyms
1ACETYL4(((44DIMETHYL2OXO6(BENZYLAMINO)CYCLOHEX1(6)ENYL)THIOXOMETHYL)AMINO)BENZENE
CC(=O)C1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3
InChI=1SC24H26N2O2Sc116(27)1891119(121018)2623(29)2220(1324(23)1421(22)28)2515177546817h41225H1315H213H3(H2629)
MFCD06191868
N(4acetylphenyl)2(benzylamino)44dimethyl6oxocyclohex1ene1carbothioamide
N(4acetylphenyl)2(benzylamino)44dimethyl6oxocyclohexene1carbothioamide
ZINC000100430359
ZINC100430359
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