Vitas-M small molecule compound

methyl N-({5-fluoro-2-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}carbonyl)-beta-alaninate

Catalog ID
STL153485
SMILES COC(=O)CCNC(=O)c1cc(F)ccc1NC(=O)N1CCCC1

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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 C16H20FN3O4 MW 337.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20FN3O4/c1-24-14(21)6-7-18-15(22)12-10-11(17)4-5-13(12)19-16(23)20-8-2-3-9-20/h4-5,10H,2-3,6-9H2,1H3,(H,18,22)(H,19,23)
InChIKey
XPYGWPSLIRAIHO-UHFFFAOYSA-N
Synonyms
1246068-93-8
1246068938
COC(=O)CCNC(=O)C1=C(C=CC(=C1)F)NC(=O)N2CCCC2
InChI=1SC16H20FN3O4c12414(21)671815(22)121011(17)4513(12)1916(23)20823920h4510H2369H21H3(H1822)(H1923)
methyl3((5fluoro2(pyrrolidine1carbonylamino)benzoyl)amino)propanoate
methyl3(5fluoro2(pyrrolidine1carboxamido)benzamido)propanoate
methylN((5fluoro2((pyrrolidin1ylcarbonyl)amino)phenyl)carbonyl)betaalaninate
MFCD18070539
ZINC000049551424
ZINC49551424

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Available files

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