Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-N-(1,3-thiazol-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535283
SMILES O=C([C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1nccs1
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c27-19(25-21-23-8-10-30-21)17-16-5-7-22(29-16)12-26(20(28)18(17)22)9-6-13-11-24-15-4-2-1-3-14(13)15/h1-5,7-8,10-11,16-18,24H,6,9,12H2,(H,23,25,27)/t16-,17+,18-,22-/m1/s1InChIKey
COOXOXMJIRONNU-WYADAEROSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(2(1~(H)indol3yl)ethyl)4oxo~(N)(13thiazol2yl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)1oxoN(13thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)1oxoN(thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
40816014
InChI=1SC22H20N4O3Sc2719(2521238103021)17165722(2916)1226(20(28)18(17)22)9613112415421314(13)15h15781011161824H6912H2(H232527)t1617+1822m1s1
MFCD09789888
O=C((C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)Nc1nccs1
ZINC000008764249
ZINC8764249
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