Vitas-M small molecule compound
N-(4-chlorophenyl)-2,8-dimethyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141917
SMILES Cc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1)Cl)C)c1ccc(cc1)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 C26H24ClN3O2S MW 478.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2S/c1-15-4-11-19(12-5-15)30-25(33)29-23-20-14-16(2)6-13-21(20)32-26(30,3)22(23)24(31)28-18-9-7-17(27)8-10-18/h4-14,22-23H,1-3H3,(H,28,31)(H,29,33)InChIKey
FUOKBFBNJPJIIM-UHFFFAOYSA-NSynonyms
1024292-00-91024292009
CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)C)C)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC26H24ClN3O2Sc11541119(12515)3025(33)2923201416(2)61321(20)3226(303)22(23)24(31)28189717(27)81018h4142223H13H3(H2831)(H2933)
MFCD15085953
N(4chlorophenyl)28dimethyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100030349
ZINC000245289870
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