Vitas-M small molecule compound

(3aS,6R)-N-(3,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STK614208
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccco1)O2)Nc1cc(C)cc(c1)C

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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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-13-8-14(2)10-15(9-13)23-20(25)18-17-5-6-22(28-17)12-24(21(26)19(18)22)11-16-4-3-7-27-16/h3-10,17-19H,11-12H2,1-2H3,(H,23,25)/t17-,18?,19?,22-/m1/s1
InChIKey
PHKDZDGCQXIOBV-AITKFJGESA-N
Synonyms

(3aS6R)N(35dimethylphenyl)2(furan2ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
MFCD18246309
O=C((C@@H)1(C@@H)2C=C(C@)3((C@H)1C(=O)N(C3)Cc1ccco1)O2)Nc1cc(C)cc(c1)C
O=C(C1(C@@H)2C=C(C@@)3(C1C(=O)N(C3)Cc1ccco1)O2)Nc1cc(C)cc(c1)C
ZINC000015905422
ZINC000015905428

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Available files

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