Vitas-M small molecule compound
N-(4-fluorophenyl)-2-[(4-methoxybenzyl)amino]-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Catalog ID
STK149905
SMILES COc1ccc(cc1)CNC1=C(C(=O)CC(C1)(C)C)C(=S)Nc1ccc(cc1)F
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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 C23H25FN2O2S MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O2S/c1-23(2)12-19(25-14-15-4-10-18(28-3)11-5-15)21(20(27)13-23)22(29)26-17-8-6-16(24)7-9-17/h4-11,25H,12-14H2,1-3H3,(H,26,29)InChIKey
NYVQMOSPZRUBGK-UHFFFAOYSA-NSynonyms
2(((4FLUOROPHENYL)AMINO)THIOXOMETHYL)3(((4METHOXYPHENYL)METHYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)OC)C
InChI=1SC23H25FN2O2Sc123(2)1219(25141541018(283)11515)21(20(27)1323)22(29)26178616(24)7917h41125H1214H213H3(H2629)
MFCD03778898
N(4FLUOROPHENYL)2((4METHOXYBENZYL)AMINO)44DIMETHYL6OXOCYCLOHEX1ENE1CARBOTHIOAMIDE
N(4FLUOROPHENYL)2((4METHOXYPHENYL)METHYLAMINO)44DIMETHYL6OXOCYCLOHEXENE1CARBOTHIOAMIDE
ZINC000100429948
ZINC100429948
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