Vitas-M small molecule compound

N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL043054
SMILES COc1cccc(c1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-32-18-6-4-5-17(13-18)29-15-26-11-9-21(33-26)22(23(26)25(29)31)24(30)27-12-10-16-14-28-20-8-3-2-7-19(16)20/h2-9,11,13-14,21-23,28H,10,12,15H2,1H3,(H,27,30)
InChIKey
MNUZQXZGLGFDJP-UHFFFAOYSA-N
Synonyms
1212187-70-6
(6R)N(2(1Hindol3yl)ethyl)2(3methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
1212187706
COC1=CC=CC(=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)NCCC5=CNC6=CC=CC=C65
COc1cccc(c1)N1C(C@)23(C@@H)(C1=O)(C@@H)((C@H)(O3)C=C2)C(=O)NCCc1c(nH)c2c1cccc2
COc1cccc(c1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)NCCc1c(nH)c2c1cccc2
InChI=1SC26H25N3O4c1321864517(1318)29152611921(3326)22(23(26)25(29)31)24(30)27121016142820832719(16)20h29111314212328H101215H21H3(H2730)
MFCD08288916
N(2(1Hindol3yl)ethyl)2(3methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
ZINC000015905326
ZINC000245246476

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Available files

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