Vitas-M small molecule compound

[4-({[2-oxo-8-(prop-2-en-1-yl)-2H-chromen-3-yl]carbonyl}amino)phenyl]acetic acid

Catalog ID
STK680851
SMILES C=CCc1cccc2c1oc(=O)c(c2)C(=O)Nc1ccc(cc1)CC(=O)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 C21H17NO5 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5/c1-2-4-14-5-3-6-15-12-17(21(26)27-19(14)15)20(25)22-16-9-7-13(8-10-16)11-18(23)24/h2-3,5-10,12H,1,4,11H2,(H,22,25)(H,23,24)
InChIKey
NBGQYJMBCSSFDL-UHFFFAOYSA-N
Synonyms

(4(((2oxo8(prop2en1yl)2Hchromen3yl)carbonyl)amino)phenyl)aceticacid
(4(((8ALLYL2OXO2HCHROMEN3YL)CARBONYL)AMINO)PHENYL)ACETICACID
2(4((2OXIDANYLIDENE8PROP2ENYLCHROMEN3YL)CARBONYLAMINO)PHENYL)ETHANOICACID
2(4((2OXO8PROP2ENYLCHROMENE3CARBONYL)AMINO)PHENYL)ACETICACID
2(4((8ALLYL2KETOCHROMENE3CARBONYL)AMINO)PHENYL)ACETICACID
2(4((OXO(2OXO8PROP2ENYL1BENZOPYRAN3YL)METHYL)AMINO)PHENYL)ACETICACID
C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O
InChI=1SC21H17NO5c12414536151217(21(26)2719(14)15)20(25)22169713(81016)1118(23)24h2351012H1411H2(H2225)(H2324)
MFCD03767478
ZINC000001075042
ZINC1075042

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Available files

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