Vitas-M small molecule compound

(3aS,6R)-2-(1,3-benzodioxol-5-yl)-1-oxo-N-(4-phenylbutan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL534933
SMILES CC(NC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)CCc1ccccc1

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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 C26H26N2O5 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5/c1-16(7-8-17-5-3-2-4-6-17)27-24(29)22-20-11-12-26(33-20)14-28(25(30)23(22)26)18-9-10-19-21(13-18)32-15-31-19/h2-6,9-13,16,20,22-23H,7-8,14-15H2,1H3,(H,27,29)/t16?,20-,22?,23?,26-/m1/s1
InChIKey
ODIVOGBZXBNPLY-VVIPBEEWSA-N
Synonyms

(1~(S)7~(R))3(13benzodioxol5yl)4oxo~(N)(4phenylbutan2yl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(13benzodioxol5yl)1oxoN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R)2(benzo(d)(13)dioxol5yl)1oxoN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
131664603
C(C@@H)(NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)CCc1ccccc1
InChI=1SC26H26N2O5c116(78175324617)2724(29)2220111226(3320)1428(25(30)23(22)26)189101921(1318)32153119h2691316202223H781415H21H3(H2729)t16?2022?23?26m1s1
MFCD09788901
ZINC000008878137
ZINC000012891041

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Available files

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