Vitas-M small molecule compound
N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-(4-methylbenzyl)-N-[4-(morpholin-4-yl)phenyl]isovalinamide
Catalog ID
STL437516
SMILES CCC(N(C(=O)Cn1nnc2c1cccc2)Cc1ccc(cc1)C)(C(=O)Nc1ccc(cc1)N1CCOCC1)C
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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 C31H36N6O3 MW 540.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N6O3/c1-4-31(3,30(39)32-25-13-15-26(16-14-25)35-17-19-40-20-18-35)36(21-24-11-9-23(2)10-12-24)29(38)22-37-28-8-6-5-7-27(28)33-34-37/h5-16H,4,17-22H2,1-3H3,(H,32,39)InChIKey
AGHJYOVGBXAUEN-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((4METHYLPHENYL)METHYL)AMINO)2METHYLN(4MORPHOLIN4YLPHENYL)BUTANAMIDE
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4METHYLBENZYL)ACETAMIDO)2METHYLN(4MORPHOLINOPHENYL)BUTANAMIDE
CCC(C)(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=C(C=C3)C)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC31H36N6O3c1431(330(39)3225131526(161425)35171940201835)36(212411923(2)101224)29(38)223728865727(28)333437h516H41722H213H3(H3239)
MFCD06244504
N~2~(1Hbenzotriazol1ylacetyl)N~2~(4methylbenzyl)N(4(morpholin4yl)phenyl)isovalinamide
ZINC000008694386
ZINC000008694387
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