Vitas-M small molecule compound
(3aR,6S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534232
SMILES O=C(C1[C@H]2C=C[C@]3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)NCc1ccc2c(c1)OCO2
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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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c31-25(29-12-16-5-6-20-22(11-16)34-15-33-20)23-21-7-9-27(35-21)14-30(26(32)24(23)27)10-8-17-13-28-19-4-2-1-3-18(17)19/h1-7,9,11,13,21,23-24,28H,8,10,12,14-15H2,(H,29,31)/t21-,23?,24?,27-/m0/s1InChIKey
XOIDTMNRQYNEIR-PIGIEOLLSA-NSynonyms
(1~(R)7~(S))~(N)(13benzodioxol5ylmethyl)3(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)N(13benzodioxol5ylmethyl)2(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6S)2(2(1Hindol3yl)ethyl)N(benzo(d)(13)dioxol5ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639426
InChI=1SC27H25N3O5c3125(291216562022(1116)34153320)23217927(3521)1430(26(32)24(23)27)10817132819421318(17)19h179111321232428H810121415H2(H2931)t2123?24?27m0s1
O=C((C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)NCc1ccc2c(c1)OCO2
ZINC000015894211
ZINC000015894214
Check stock
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