Vitas-M small molecule compound
3-(6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl)benzoic acid
Catalog ID
STK885124
SMILES OC(=O)c1cccc(c1)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3
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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/c23-20(24)12-3-1-4-13(9-12)22-10-17-18(26-11-22)8-7-15-14-5-2-6-16(14)21(25)27-19(15)17/h1,3-4,7-9H,2,5-6,10-11H2,(H,23,24)InChIKey
QPGZATSTMQNLET-UHFFFAOYSA-NSynonyms
3(6oxo6789tetrahydro2Hcyclopenta(34)chromeno(87e)(13)oxazin3(4H)yl)benzoicacid
C1CC2=C(C1)C(=O)OC3=C2C=CC4=C3CN(CO4)C5=CC=CC(=C5)C(=O)O
InChI=1SC21H17NO5c2320(24)1231413(912)22101718(261122)87151452616(14)21(25)2719(15)17h13479H2561011H2(H2324)
MFCD14915874
ZINC000006900568
ZINC6900568
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