Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-{2-[(2,4-dimethoxyphenyl)amino]-1-(3-fluorophenyl)-2-oxoethyl}-N-(4-methylbenzyl)acetamide
Catalog ID
STL439048
SMILES COc1ccc(c(c1)OC)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 C32H30FN5O4 MW 567.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN5O4/c1-21-11-13-22(14-12-21)19-37(30(39)20-38-28-10-5-4-9-26(28)35-36-38)31(23-7-6-8-24(33)17-23)32(40)34-27-16-15-25(41-2)18-29(27)42-3/h4-18,31H,19-20H2,1-3H3,(H,34,40)InChIKey
IIWDSQSJBKBPCW-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((4METHYLPHENYL)METHYL)AMINO)N(24DIMETHOXYPHENYL)2(3FLUOROPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(2((24dimethoxyphenyl)amino)1(3fluorophenyl)2oxoethyl)N(4methylbenzyl)acetamide
CC1=CC=C(C=C1)CN(C(C2=CC(=CC=C2)F)C(=O)NC3=C(C=C(C=C3)OC)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC32H30FN5O4c121111322(141221)1937(30(39)2038281054926(28)353638)31(2376824(33)1723)32(40)3427161525(412)1829(27)423h41831H1920H213H3(H3440)
MFCD09956707
ZINC000001419142
ZINC000003772084
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