Vitas-M small molecule compound

(3aS,6R)-2-[4-(acetylamino)phenyl]-1-oxo-N-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STK625015
SMILES CC(=O)Nc1ccc(cc1)N1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)C(=O)NCc1ccncc1

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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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-14(28)26-16-2-4-17(5-3-16)27-13-23-9-6-18(31-23)19(20(23)22(27)30)21(29)25-12-15-7-10-24-11-8-15/h2-11,18-20H,12-13H2,1H3,(H,25,29)(H,26,28)/t18-,19?,20?,23-/m1/s1
InChIKey
HXLXNBAJNSOUBT-LYCVCJOSSA-N
Synonyms
1212450-47-9
(3aS6R)2(4(acetylamino)phenyl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R)2(4acetamidophenyl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
1212450479
CC(=O)Nc1ccc(cc1)N1C(C@@)23(C@@H)(C1=O)(C@@H)((C@H)(O3)C=C2)C(=O)NCc1ccncc1
CC(=O)Nc1ccc(cc1)N1C(C@@)23C(C1=O)C((C@@H)(O3)C=C2)C(=O)NCc1ccncc1
MFCD18246455
ZINC000009305098
ZINC000009305102

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Available files

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