Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-N-(pyridin-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535270
SMILES O=C([C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)NCc1ccccn1
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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 C25H24N4O3 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3/c30-23(28-14-17-5-3-4-11-26-17)21-20-8-10-25(32-20)15-29(24(31)22(21)25)12-9-16-13-27-19-7-2-1-6-18(16)19/h1-8,10-11,13,20-22,27H,9,12,14-15H2,(H,28,30)/t20-,21+,22-,25-/m1/s1InChIKey
RQLZILOXHMFMSJ-WTEVXDJOSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(2(1~(H)indol3yl)ethyl)4oxo~(N)(pyridin2ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)1oxoN(pyridin2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
40826853
InChI=1SC25H24N4O3c3023(281417534112617)212081025(3220)1529(24(31)22(21)25)12916132719721618(16)19h18101113202227H9121415H2(H2830)t2021+2225m1s1
MFCD09792182
O=C((C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)NCc1ccccn1
ZINC000008792515
ZINC8792515
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