Vitas-M small molecule compound

ethyl 4-{[(3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK608196
SMILES CCOC(=O)N1CCN(CC1)C(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)OC)O2

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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 C23H27N3O6 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O6/c1-3-31-22(29)25-12-10-24(11-13-25)20(27)18-17-8-9-23(32-17)14-26(21(28)19(18)23)15-4-6-16(30-2)7-5-15/h4-9,17-19H,3,10-14H2,1-2H3/t17-,18?,19+,23-/m1/s1
InChIKey
PUBGQMMCPHQVAW-HODFGBNWSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)(C@@H)1(C@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
CCOC(=O)N1CCN(CC1)C(=O)C1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
ethyl4(((3aS6R7aR)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)piperazine1carboxylate
ethyl4((3aS6R7aR)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carbonyl)piperazine1carboxylate
MFCD18246235
ZINC000009418938
ZINC000009418939

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Available files

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