Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-{1-(cyclohex-3-en-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(2-fluorobenzyl)acetamide
Catalog ID
STL439044
SMILES COc1ccc(c(c1)OC)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1F)C1CCC=CC1
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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 C31H32FN5O4 MW 557.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32FN5O4/c1-40-23-16-17-26(28(18-23)41-2)33-31(39)30(21-10-4-3-5-11-21)36(19-22-12-6-7-13-24(22)32)29(38)20-37-27-15-9-8-14-25(27)34-35-37/h3-4,6-9,12-18,21,30H,5,10-11,19-20H2,1-2H3,(H,33,39)InChIKey
WMQPPUMZHPAZMF-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)2CYCLOHEX3EN1YLN(24DIMETHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(cyclohex3en1yl)2((24dimethoxyphenyl)amino)2oxoethyl)N(2fluorobenzyl)acetamide
COC1=CC(=C(C=C1)NC(=O)C(C2CCC=CC2)N(CC3=CC=CC=C3F)C(=O)CN4C5=CC=CC=C5N=N4)OC
InChI=1SC31H32FN5O4c14023161726(28(1823)412)3331(39)30(21104351121)36(192212671324(22)32)29(38)20372715981425(27)343537h346912182130H510111920H212H3(H3339)
MFCD09956738
ZINC000001419145
ZINC000001419148
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