Vitas-M small molecule compound
(2S)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Catalog ID
STL226464
SMILES Fc1ccc2c(c1)c(CCNC(=O)[C@@H](n1nnc3c(c1=O)cccc3)C(C)C)c[nH]2
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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 C22H22FN5O2 MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O2/c1-13(2)20(28-22(30)16-5-3-4-6-19(16)26-27-28)21(29)24-10-9-14-12-25-18-8-7-15(23)11-17(14)18/h3-8,11-13,20,25H,9-10H2,1-2H3,(H,24,29)/t20-/m0/s1InChIKey
AQANIZXUAISLSH-FQEVSTJZSA-NSynonyms
(2S)N(2(5fluoro1Hindol3yl)ethyl)3methyl2(4oxo123benzotriazin3(4H)yl)butanamide
(2S)N(2(5fluoro1Hindol3yl)ethyl)3methyl2(4oxo123benzotriazin3yl)butanamide
CC(C)C(C(=O)NCCC1=CNC2=C1C=C(C=C2)F)N3C(=O)C4=CC=CC=C4N=N3
Fc1ccc2c(c1)c(CCNC(=O)(C@@H)(n1nnc3c(c1=O)cccc3)C(C)C)c(nH)2
Fc1ccc2c(c1)c(CCNC(=O)C(n1nnc3c(c1=O)cccc3)C(C)C)c(nH)2
InChI=1SC22H22FN5O2c113(2)20(2822(30)16534619(16)262728)21(29)24109141225188715(23)1117(14)18h3811132025H910H212H3(H2429)t20m0s1
MFCD24858067
N(2(5fluoro1Hindol3yl)ethyl)3methyl2(4oxobenzo(d)(123)triazin3(4H)yl)butanamide
ZINC000013625586
ZINC13625586
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