Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-[1-(cyclohex-3-en-1-yl)-2-{[4-(morpholin-4-yl)phenyl]amino}-2-oxoethyl]-N-(4-fluorobenzyl)acetamide
Catalog ID
STL484988
SMILES O=C(C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccc(cc1)F)C1CCC=CC1)Nc1ccc(cc1)N1CCOCC1
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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 C33H35FN6O3 MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35FN6O3/c34-26-12-10-24(11-13-26)22-39(31(41)23-40-30-9-5-4-8-29(30)36-37-40)32(25-6-2-1-3-7-25)33(42)35-27-14-16-28(17-15-27)38-18-20-43-21-19-38/h1-2,4-5,8-17,25,32H,3,6-7,18-23H2,(H,35,42)InChIKey
PACWXONONFVQNP-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((4FLUOROPHENYL)METHYL)AMINO)2CYCLOHEX3EN1YLN(4MORPHOLIN4YLPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(cyclohex3en1yl)2((4(morpholin4yl)phenyl)amino)2oxoethyl)N(4fluorobenzyl)acetamide
C1CC(CC=C1)C(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CC=C(C=C4)F)C(=O)CN5C6=CC=CC=C6N=N5
InChI=1SC33H35FN6O3c3426121024(111326)2239(31(41)234030954829(30)363740)32(256213725)33(42)3527141628(171527)38182043211938h12458172532H3671823H2(H3542)
MFCD09957101
ZINC000103590286
ZINC000103590296
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