Vitas-M small molecule compound

(3aS,6R,7R,7aS)-N-(3,4-dimethoxyphenyl)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL537897
SMILES COc1cc(ccc1OC)NC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-33-20-8-7-17(13-22(20)34-2)29-25(31)23-21-9-11-27(35-21)15-30(26(32)24(23)27)12-10-16-14-28-19-6-4-3-5-18(16)19/h3-9,11,13-14,21,23-24,28H,10,12,15H2,1-2H3,(H,29,31)/t21-,23+,24-,27-/m1/s1
InChIKey
SGBJQGXWTBXYQF-IFZRMHHFSA-N
Synonyms

(1~(S)5~(S)6~(R)7~(R))~(N)(34dimethoxyphenyl)3(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)N(34dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)N(34dimethoxyphenyl)2(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
25583923
COc1cc(ccc1OC)NC(=O)(C@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC27H27N3O5c133208717(1322(20)342)2925(31)232191127(3521)1530(26(32)24(23)27)121016142819643518(16)19h3911131421232428H101215H212H3(H2931)t2123+2427m1s1
ZINC000012894660
ZINC12894660

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Available files

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