Vitas-M small molecule compound
(3aS,4R,4aS,7aR,8R,8aS)-6-(4-chlorophenyl)-3-(4-methoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK586542
SMILES COc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl
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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 C22H17ClN2O5 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O5/c1-28-13-8-2-10(3-9-13)17-16-18-14-15(19(29-18)20(16)30-24-17)22(27)25(21(14)26)12-6-4-11(23)5-7-12/h2-9,14-16,18-20H,1H3/t14-,15+,16-,18-,19+,20-/m0/s1InChIKey
ORBVHBKQDKTZIE-AEVHBADWSA-NSynonyms
943836-42-8(3aS4R4aS7aR8R8aS)6(4chlorophenyl)3(4methoxyphenyl)44a88atetrahydro3aH48epoxyisoxazolo(45f)isoindole57(6H7aH)dione
(3aS4R4aS7aR8R8aS)6(4chlorophenyl)3(4methoxyphenyl)4a7a88atetrahydro3aH48epoxy(12)oxazolo(45f)isoindole57(4H6H)dione
943836428
COc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1O(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)Cl
COc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1O(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)Cl
MFCD18245803
ZINC000013815259
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