Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-[4-(benzyloxy)-3-methoxyphenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK599808
SMILES COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2
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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 C31H26N2O7 MW 538.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7/c1-36-23-11-17(7-9-21(23)37-14-16-5-3-2-4-6-16)28-27-19-13-20(29(27)40-32-28)26-25(19)30(34)33(31(26)35)18-8-10-22-24(12-18)39-15-38-22/h2-12,19-20,25-27,29H,13-15H2,1H3/t19-,20+,25+,26-,27+,29+/m0/s1InChIKey
UPELNJDSSGZXAB-QTKOOZLVSA-NSynonyms
1013981-55-9(3aR4R4aR7aS8R8aR)6(13benzodioxol5yl)3(4(benzyloxy)3methoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
(3aR4R4aR7aS8R8aR)6(benzo(d)(13)dioxol5yl)3(4(benzyloxy)3methoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
1013981559
COc1cc(ccc1OCc1ccccc1)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
COc1cc(ccc1OCc1ccccc1)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
MFCD18246121
ZINC000101292580
Check stock
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Check stock on Vitas-MAvailable files
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