Vitas-M small molecule compound
11-oxo-9,10,10a,11-tetrahydro-5H-6b,9-epoxyisoindolo[2,1-a][3,1]benzoxazine-10(6aH)-carboxylic acid
Catalog ID
STL533484
SMILES OC(=O)C1C2C=CC3(C1C(=O)N1C3OCc3c1cccc3)O2
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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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c18-13-12-11(14(19)20)10-5-6-16(12,22-10)15-17(13)9-4-2-1-3-8(9)7-21-15/h1-6,10-12,15H,7H2,(H,19,20)InChIKey
JAKDDXGVWGWOEV-UHFFFAOYSA-NSynonyms
(6bS9R10aR)11oxo56a91010a11hexahydro6b9epoxybenzo(45)(13)oxazino(23a)isoindole10carboxylicacid
11oxo91010a11tetrahydro5H6b9epoxyisoindolo(21a)(31)benzoxazine10(6aH)carboxylicacid
12oxo318dioxa11azapentacyclo(13210^(113)0^(211)0^(510))octadeca57916tetraene14carboxylicacid
2966480
InChI=1SC16H13NO5c18131211(14(19)20)105616(122210)1517(13)942138(9)72115h16101215H7H2(H1920)
MFCD06000761
OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N1C3OCc3c1cccc3)O2
ZINC000195435980
ZINC000263592339
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