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-(pyridin-3-ylmethyl)acetamide
Catalog ID
STL439013
SMILES COc1ccc(c(c1)OC)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1cccnc1)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 C30H32N6O4 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6O4/c1-39-23-14-15-25(27(17-23)40-2)32-30(38)29(22-10-4-3-5-11-22)35(19-21-9-8-16-31-18-21)28(37)20-36-26-13-7-6-12-24(26)33-34-36/h3-4,6-9,12-18,22,29H,5,10-11,19-20H2,1-2H3,(H,32,38)InChIKey
KBZGDGKMNZIQPB-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)2CYCLOHEX3EN1YLN(24DIMETHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(cyclohex3en1yl)2((24dimethoxyphenyl)amino)2oxoethyl)N(pyridin3ylmethyl)acetamide
COC1=CC(=C(C=C1)NC(=O)C(C2CCC=CC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4)OC
InChI=1SC30H32N6O4c13923141525(27(1723)402)3230(38)29(22104351122)35(19219816311821)28(37)20362613761224(26)333436h346912182229H510111920H212H3(H3238)
MFCD09956796
ZINC000059548227
ZINC000103550735
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