Vitas-M small molecule compound

[(3aR,4R,4aR,7aS,8R,8aR)-3-(4-methylphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]acetic acid

Catalog ID
STK571284
SMILES OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)C

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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 C19H18N2O5 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5/c1-8-2-4-9(5-3-8)16-15-10-6-11(17(15)26-20-16)14-13(10)18(24)21(19(14)25)7-12(22)23/h2-5,10-11,13-15,17H,6-7H2,1H3,(H,22,23)/t10-,11+,13+,14-,15+,17+/m0/s1
InChIKey
WELQXBYVTWLUFU-YCRNYQIISA-N
Synonyms
1212393-63-9
((3aR4R4aR7aS8R8aR)3(4methylphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)aceticacid
1212393639
2((3aR4R4aR7aS8R8aR)57dioxo3(ptolyl)4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)aceticacid
CC1=CC=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)CC(=O)O
InChI=1SC19H18N2O5c18249(538)161510611(17(15)262016)1413(10)18(24)21(19(14)25)712(22)23h251011131517H67H21H3(H2223)t1011+1314+1517m1s1
MFCD18245407
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)C
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)C
ZINC000005246449

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Available files

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