Vitas-M small molecule compound

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

Catalog ID
STL537653
SMILES Fc1cccc(c1)NC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=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 C25H22FN3O3 MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O3/c26-16-4-3-5-17(12-16)28-23(30)21-20-8-10-25(32-20)14-29(24(31)22(21)25)11-9-15-13-27-19-7-2-1-6-18(15)19/h1-8,10,12-13,20-22,27H,9,11,14H2,(H,28,30)/t20-,21?,22+,25-/m0/s1
InChIKey
DPNUBZLYEMIGGS-XTMJHDMTSA-N
Synonyms

(1~(R)5~(S)7~(S))~(N)(3fluorophenyl)3(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(2(1Hindol3yl)ethyl)N(3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)N(3fluorophenyl)2(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639495
Fc1cccc(c1)NC(=O)(C@@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC25H22FN3O3c261643517(1216)2823(30)212081025(3220)1429(24(31)22(21)25)11915132719721618(15)19h18101213202227H91114H2(H2830)t2021?22+25m0s1
ZINC000015894215
ZINC000015894216

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Available files

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