Vitas-M small molecule compound
methyl N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}valinate
Catalog ID
STL511584
SMILES COC(=O)C(C(C)C)NC(=O)c1cccc(c1)c1cc2ccccc2oc1=O
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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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-13(2)19(22(26)27-3)23-20(24)16-9-6-8-14(11-16)17-12-15-7-4-5-10-18(15)28-21(17)25/h4-13,19H,1-3H3,(H,23,24)InChIKey
HTKXIFKQJPSOJW-UHFFFAOYSA-NSynonyms
(S)methyl3methyl2(3(2oxo2Hchromen3yl)benzamido)butanoate
122169350
COC(=O)(C@H)(C(C)C)NC(=O)c1cccc(c1)c1cc2ccccc2oc1=O
InChI=1SC22H21NO5c113(2)19(22(26)273)2320(24)1696814(1116)1712157451018(15)2821(17)25h41319H13H3(H2324)
methyl3methyl2((3(2oxochromen3yl)benzoyl)amino)butanoate
methylN((3(2oxo2Hchromen3yl)phenyl)carbonyl)valinate
MFCD31751711
ZINC000217909839
ZINC000409413005
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