Vitas-M small molecule compound

(3aS,6R)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL533892
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccccc1)O2)NCCc1c[nH]c2c1cccc2

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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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c29-23(26-13-11-16-14-27-19-9-5-4-8-18(16)19)21-20-10-12-25(31-20)15-28(24(30)22(21)25)17-6-2-1-3-7-17/h1-10,12,14,20-22,27H,11,13,15H2,(H,26,29)/t20-,21?,22?,25-/m1/s1
InChIKey
JYQUDPGXVRCCHZ-YSDSZHATSA-N
Synonyms
1212465-94-5
(1~(S)7~(R))~(N)(2(1~(H)indol3yl)ethyl)4oxo3phenyl10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(2(1Hindol3yl)ethyl)1oxo2phenyl123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(2(1Hindol3yl)ethyl)1oxo2phenyl123677ahexahydro3a6epoxyisoindole7carboxamide
1212465945
131664661
InChI=1SC25H23N3O3c2923(26131116142719954818(16)19)2120101225(3120)1528(24(30)22(21)25)176213717h1101214202227H111315H2(H2629)t2021?22?25m1s1
O=C((C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)c1ccccc1)O2)NCCc1c(nH)c2c1cccc2
ZINC000015894248
ZINC000015894251

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Available files

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