Vitas-M small molecule compound

(3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione

Catalog ID
STK580823
SMILES COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O

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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 C18H18N2O5 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5/c1-23-7-3-4-8(11(5-7)24-2)15-14-9-6-10(16(14)25-20-15)13-12(9)17(21)19-18(13)22/h3-5,9-10,12-14,16H,6H2,1-2H3,(H,19,21,22)/t9-,10+,12+,13-,14+,16+/m0/s1
InChIKey
KXNHOPNAHRZFOZ-NADOHHQUSA-N
Synonyms
1212234-58-6
(3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212234586
COC1=CC(=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)NC5=O)OC
COc1cc(OC)ccc1C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)NC2=O
COc1cc(OC)ccc1C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)NC2=O
InChI=1SC18H18N2O5c1237348(11(57)242)15149610(16(14)252015)1312(9)17(21)1918(13)22h35910121416H6H212H3(H192122)t910+1213+1416m1s1
MFCD18245659
ZINC000005244886

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Available files

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