Vitas-M small molecule compound
(3aS,6R,7aR)-2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL536924
SMILES COc1ccc(cc1)CCNC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)OC)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 C25H26N2O5 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5/c1-30-18-7-3-16(4-8-18)12-14-26-23(28)21-20-11-13-25(32-20)15-27(24(29)22(21)25)17-5-9-19(31-2)10-6-17/h3-11,13,20-22H,12,14-15H2,1-2H3,(H,26,28)/t20-,21?,22+,25-/m1/s1InChIKey
ZXPRRSWBQCPNJX-AXZPQHBUSA-NSynonyms
(1~(S)5~(R)7~(R))3(4methoxyphenyl)~(N)(2(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7aR)2(4methoxyphenyl)N(2(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(4methoxyphenethyl)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639475
COc1ccc(cc1)CCNC(=O)(C@H)1(C@@H)2C=C(C@)3((C@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
InChI=1SC25H26N2O5c130187316(4818)12142623(28)2120111325(3220)1527(24(29)22(21)25)175919(312)10617h311132022H121415H212H3(H2628)t2021?22+25m1s1
ZINC000015894316
ZINC000015894317
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