Vitas-M small molecule compound

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

Catalog ID
STL350242
SMILES CC(=O)Nc1ccc(cc1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)Nc1cccc(c1)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 C23H20ClN3O4 MW 437.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4/c1-13(28)25-15-5-7-17(8-6-15)27-12-23-10-9-18(31-23)19(20(23)22(27)30)21(29)26-16-4-2-3-14(24)11-16/h2-11,18-20H,12H2,1H3,(H,25,28)(H,26,29)
InChIKey
SIATYRUFIPPANM-UHFFFAOYSA-N
Synonyms
1212291-56-9
(3aS6R)2(4acetamidophenyl)N(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
1212291569
2(4(acetylamino)phenyl)N(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
CC(=O)NC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=CC=C5)Cl
CC(=O)Nc1ccc(cc1)N1C(C@@)23(C@@H)(C1=O)(C@@H)((C@H)(O3)C=C2)C(=O)Nc1cccc(c1)Cl
InChI=1SC23H20ClN3O4c113(28)25155717(8615)27122310918(3123)19(20(23)22(27)30)21(29)261642314(24)1116h2111820H12H21H3(H2528)(H2629)
MFCD08749562
ZINC000013630021
ZINC000013630026

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Available files

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