Vitas-M small molecule compound
{(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-3-[(E)-2-phenylethenyl]-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
STK586445
SMILES OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2/C=C/c1ccccc1
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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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c23-14(24)9-22-19(25)16-11-8-12(17(16)20(22)26)18-15(11)13(21-27-18)7-6-10-4-2-1-3-5-10/h1-7,11-12,15-18H,8-9H2,(H,23,24)/b7-6+/t11-,12-,15-,16-,17+,18-/m1/s1InChIKey
MUULKCJAZYENLQ-QYAMTKDRSA-NSynonyms
((3aR4R4aR7aS8R8aR)57dioxo3((E)2phenylethenyl)3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)aceticacid
2((3aR4R4aR7aS8R8aR)57dioxo3((E)styryl)4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)aceticacid
C1C2C3C(C1C4C2C(=NO4)C=CC5=CC=CC=C5)C(=O)N(C3=O)CC(=O)O
InChI=1SC20H18N2O5c2314(24)92219(25)1611812(17(16)20(22)26)1815(11)13(212718)76104213510h1711121518H89H2(H2324)b76+t111215+16+1718+m0s1
MFCD18245797
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2C=Cc1ccccc1
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2C=Cc1ccccc1
ZINC000005271536
Check stock
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Check stock on Vitas-MAvailable files
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