Vitas-M small molecule compound

2-[(1H-benzotriazol-1-ylacetyl)(2-fluorobenzyl)amino]-N-[4-(morpholin-4-yl)phenyl]butanamide

Catalog ID
STL446166
SMILES CCC(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1F)C(=O)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 C29H31FN6O3 MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN6O3/c1-2-26(29(38)31-22-11-13-23(14-12-22)34-15-17-39-18-16-34)35(19-21-7-3-4-8-24(21)30)28(37)20-36-27-10-6-5-9-25(27)32-33-36/h3-14,26H,2,15-20H2,1H3,(H,31,38)
InChIKey
NSEFRWUZVJSUDD-UHFFFAOYSA-N
Synonyms

2((1Hbenzotriazol1ylacetyl)(2fluorobenzyl)amino)N(4(morpholin4yl)phenyl)butanamide
2((2(BENZOTRIAZOL1YL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)N(4MORPHOLIN4YLPHENYL)BUTANAMIDE
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(2FLUOROBENZYL)ACETAMIDO)N(4MORPHOLINOPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CC=CC=C3F)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC29H31FN6O3c1226(29(38)3122111323(141222)34151739181634)35(1921734824(21)30)28(37)2036271065925(27)323336h31426H21520H21H3(H3138)
MFCD06244502
ZINC000008694404
ZINC000008694405

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Available files

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