Vitas-M small molecule compound

(3aS,6R)-2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL534909
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccc3c(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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c31-25(28-10-8-17-12-29-19-4-2-1-3-18(17)19)23-21-7-9-27(35-21)14-30(26(32)24(23)27)13-16-5-6-20-22(11-16)34-15-33-20/h1-7,9,11-12,21,23-24,29H,8,10,13-15H2,(H,28,31)/t21-,23?,24?,27-/m1/s1
InChIKey
UTEXEVRNNFJJAJ-ANEXQRMUSA-N
Synonyms

(1~(S)7~(R))3(13benzodioxol5ylmethyl)~(N)(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(13benzodioxol5ylmethyl)N(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(2(1Hindol3yl)ethyl)2(benzo(d)(13)dioxol5ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639437
InChI=1SC27H25N3O5c3125(2810817122919421318(17)19)23217927(3521)1430(26(32)24(23)27)1316562022(1116)34153320h179111221232429H8101315H2(H2831)t2123?24?27m1s1
O=C((C@H)1(C@@H)2C=C(C@)3((C@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCCc1c(nH)c2c1cccc2
ZINC000015894183
ZINC000015894186

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Available files

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