Vitas-M small molecule compound
(3aS,6R)-2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL533809
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c30-24(27-10-8-15-12-28-18-4-2-1-3-17(15)18)22-20-7-9-26(34-20)13-29(25(31)23(22)26)16-5-6-19-21(11-16)33-14-32-19/h1-7,9,11-12,20,22-23,28H,8,10,13-14H2,(H,27,30)/t20-,22?,23?,26-/m1/s1InChIKey
TYISQZWULVEIOK-KFCKGTRVSA-NSynonyms
(1~(S)7~(R))3(13benzodioxol5yl)~(N)(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(13benzodioxol5yl)N(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R)N(2(1Hindol3yl)ethyl)2(benzo(d)(13)dioxol5yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
132935099
InChI=1SC26H23N3O5c3024(2710815122818421317(15)18)22207926(3420)1329(25(31)23(22)26)16561921(1116)33143219h179111220222328H8101314H2(H2730)t2022?23?26m1s1
O=C((C@H)1(C@@H)2C=C(C@)3((C@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)NCCc1c(nH)c2c1cccc2
ZINC000015894151
ZINC000015894154
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