Vitas-M small molecule compound
(3aS,6R,7R,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL537453
SMILES O=C([C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1ccc2c(c1)OCCO2
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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(29-17-5-6-20-22(13-17)34-12-11-33-20)23-21-7-9-27(35-21)15-30(26(32)24(23)27)10-8-16-14-28-19-4-2-1-3-18(16)19/h1-7,9,13-14,21,23-24,28H,8,10-12,15H2,(H,29,31)/t21-,23+,24-,27-/m1/s1InChIKey
RFWKHZIFANURJB-IFZRMHHFSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))~(N)(23dihydro14benzodioxin6yl)3(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)N(23dihydrobenzo(b)(14)dioxin6yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)N(23dihydro14benzodioxin6yl)2(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
40854628
InChI=1SC27H25N3O5c3125(2917562022(1317)3412113320)23217927(3521)1530(26(32)24(23)27)10816142819421318(16)19h179131421232428H8101215H2(H2931)t2123+2427m1s1
O=C((C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)Nc1ccc2c(c1)OCCO2
ZINC000008879151
ZINC8879151
Check stock
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