Vitas-M small molecule compound

methyl N-{[4-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}valinate

Catalog ID
STL425386
SMILES COC(=O)C(C(C)C)NC(=O)c1ccc(cc1)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)15-10-8-14(9-11-15)17-12-16-6-4-5-7-18(16)28-21(17)25/h4-13,19H,1-3H3,(H,23,24)
InChIKey
UNFUFYJYOVMDLY-UHFFFAOYSA-N
Synonyms

(S)methyl3methyl2(4(2oxo2Hchromen3yl)benzamido)butanoate
CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O
COC(=O)(C@H)(C(C)C)NC(=O)c1ccc(cc1)c1cc2ccccc2oc1=O
InChI=1SC22H21NO5c113(2)19(22(26)273)2320(24)1510814(91115)171216645718(16)2821(17)25h41319H13H3(H2324)
methyl3methyl2((4(2oxochromen3yl)benzoyl)amino)butanoate
methylN((4(2oxo2Hchromen3yl)phenyl)carbonyl)valinate
MFCD30709952
ZINC000218171623
ZINC000252502189

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.