Vitas-M small molecule compound
1-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl](4-methoxyphenyl)amino}-N-(2,6-dimethylphenyl)cyclohexanecarboxamide
Catalog ID
STK059004
SMILES COc1ccc(cc1)N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)C(=O)CSc1nc2c(o1)cccc2
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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 C31H33N3O4S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O4S/c1-21-10-9-11-22(2)28(21)33-29(36)31(18-7-4-8-19-31)34(23-14-16-24(37-3)17-15-23)27(35)20-39-30-32-25-12-5-6-13-26(25)38-30/h5-6,9-17H,4,7-8,18-20H2,1-3H3,(H,33,36)InChIKey
BOVBSFCWWOSZMI-UHFFFAOYSA-NSynonyms
1(((13BENZOXAZOL2YLSULFANYL)ACETYL)(4METHOXYPHENYL)AMINO)N(26DIMETHYLPHENYL)CYCLOHEXANECARBOXAMIDE
1(N(2(13BENZOXAZOL2YLSULFANYL)ACETYL)4METHOXYANILINO)N(26DIMETHYLPHENYL)CYCLOHEXANE1CARBOXAMIDE
CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C3=CC=C(C=C3)OC)C(=O)CSC4=NC5=CC=CC=C5O4
COc1ccc(cc1)N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)C(=O)CSc1nc2c(o1)cccc2
InChI=1SC31H33N3O4Sc1211091122(2)28(21)3329(36)31(187481931)34(23141624(373)171523)27(35)203930322512561326(25)3830h56917H4781820H213H3(H3336)
MFCD02181807
STK059004
ZINC000098045029
ZINC98045029
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