Vitas-M small molecule compound

(3aR,6S)-N-hexyl-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL533800
SMILES CCCCCCNC(=O)C1[C@H]2C=C[C@]3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)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 C25H31N3O3 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3/c1-2-3-4-7-13-26-23(29)21-20-10-12-25(31-20)16-28(24(30)22(21)25)14-11-17-15-27-19-9-6-5-8-18(17)19/h5-6,8-10,12,15,20-22,27H,2-4,7,11,13-14,16H2,1H3,(H,26,29)/t20-,21?,22?,25-/m0/s1
InChIKey
VHLZIJNLSWSJQK-JDEYNBIPSA-N
Synonyms

(1~(R)7~(S))~(N)hexyl3(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(2(1Hindol3yl)ethyl)Nhexyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S)Nhexyl2(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
132934872
CCCCCCNC(=O)(C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC25H31N3O3c12347132623(29)2120101225(3120)1628(24(30)22(21)25)141117152719965818(17)19h568101215202227H24711131416H21H3(H2629)t2021?22?25m0s1
ZINC000015894155
ZINC000015894158

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Available files

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