Vitas-M small molecule compound
(3aR,6S,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535354
SMILES COc1ccc(cc1)CCNC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)Cc1ccc3c(c1)OCO3)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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c1-31-18-5-2-16(3-6-18)9-11-27-24(29)22-20-8-10-26(34-20)14-28(25(30)23(22)26)13-17-4-7-19-21(12-17)33-15-32-19/h2-8,10,12,20,22-23H,9,11,13-15H2,1H3,(H,27,29)/t20-,22?,23+,26-/m0/s1InChIKey
OPCSZSCYGOCTPL-DRKMWDGGSA-NSynonyms
(1~(R)5~(S)7~(S))3(13benzodioxol5ylmethyl)~(N)(2(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(benzo(d)(13)dioxol5ylmethyl)N(4methoxyphenethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)2(13benzodioxol5ylmethyl)N(2(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639449
COc1ccc(cc1)CCNC(=O)(C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2
InChI=1SC26H26N2O6c131185216(3618)9112724(29)222081026(3420)1428(25(30)23(22)26)1317471921(1217)33153219h281012202223H9111315H21H3(H2729)t2022?23+26m0s1
MFCD09791231
ZINC000008879228
ZINC000008879234
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