Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-{1-(3-fluorophenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)acetamide
Catalog ID
STL438995
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccc(cc1)C)c1cccc(c1)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 C31H28FN5O3 MW 537.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN5O3/c1-21-10-12-22(13-11-21)19-36(29(38)20-37-28-9-4-3-8-27(28)34-35-37)30(23-6-5-7-24(32)18-23)31(39)33-25-14-16-26(40-2)17-15-25/h3-18,30H,19-20H2,1-2H3,(H,33,39)InChIKey
VKPGJAJRDOVKHK-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((4METHYLPHENYL)METHYL)AMINO)2(3FLUOROPHENYL)N(4METHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(3fluorophenyl)2((4methoxyphenyl)amino)2oxoethyl)N(4methylbenzyl)acetamide
CC1=CC=C(C=C1)CN(C(C2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC31H28FN5O3c121101222(131121)1936(29(38)203728943827(28)343537)30(2365724(32)1823)31(39)3325141626(402)171525h31830H1920H212H3(H3339)
MFCD09956421
ZINC000001419110
ZINC000101387310
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