Vitas-M small molecule compound
(3aS,6R)-2-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534517
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)Cl)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 C25H22ClN3O3 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3/c26-16-5-7-17(8-6-16)29-14-25-11-9-20(32-25)21(22(25)24(29)31)23(30)27-12-10-15-13-28-19-4-2-1-3-18(15)19/h1-9,11,13,20-22,28H,10,12,14H2,(H,27,30)/t20-,21?,22?,25-/m1/s1InChIKey
KCUQSZVBQFZEBC-YSDSZHATSA-NSynonyms
(1~(S)7~(R))3(4chlorophenyl)~(N)(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(4chlorophenyl)N(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(2(1Hindol3yl)ethyl)2(4chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639429
InChI=1SC25H22ClN3O3c26165717(8616)29142511920(3225)21(22(25)24(29)31)23(30)27121015132819421318(15)19h191113202228H101214H2(H2730)t2021?22?25m1s1
MFCD09795059
O=C((C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)Cl)O2)NCCc1c(nH)c2c1cccc2
ZINC000015894203
ZINC000015894206
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