Vitas-M small molecule compound
2-(benzylamino)-N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Catalog ID
STK150051
SMILES Clc1ccc(c(c1)Cl)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 C22H22Cl2N2OS MW 433.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2OS/c1-22(2)11-18(25-13-14-6-4-3-5-7-14)20(19(27)12-22)21(28)26-17-9-8-15(23)10-16(17)24/h3-10,25H,11-13H2,1-2H3,(H,26,28)InChIKey
BGMKMKGJZSQBNF-UHFFFAOYSA-NSynonyms
2(((24DICHLOROPHENYL)AMINO)THIOXOMETHYL)55DIMETHYL3(BENZYLAMINO)CYCLOHEX2EN1ONE
2(BENZYLAMINO)N(24DICHLOROPHENYL)44DIMETHYL6OXOCYCLOHEX1ENE1CARBOTHIOAMIDE
2(BENZYLAMINO)N(24DICHLOROPHENYL)44DIMETHYL6OXOCYCLOHEXENE1CARBOTHIOAMIDE
CC1(CC(=C(C(=O)C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl)NCC3=CC=CC=C3)C
InChI=1SC22H22Cl2N2OSc122(2)1118(2513146435714)20(19(27)1222)21(28)26179815(23)1016(17)24h31025H1113H212H3(H2628)
MFCD04222066
ZINC000100430240
ZINC100430240
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