Vitas-M small molecule compound
ethyl (1'S,2'R,3R,3a'S)-2-oxo-2'-(pyridin-4-ylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Catalog ID
STL527132
SMILES CCOC(=O)[C@H]1N2c3ccccc3C=C[C@H]2[C@]2([C@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1
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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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c1-2-35-26(33)24-23(25(32)18-13-15-29-16-14-18)28(19-8-4-5-9-20(19)30-27(28)34)22-12-11-17-7-3-6-10-21(17)31(22)24/h3-16,22-24H,2H2,1H3,(H,30,34)/t22-,23+,24-,28+/m0/s1InChIKey
IVQKGBIVLALGEP-NLJXWPIHSA-NSynonyms
1212445-92-5(1S2R3R3aS)ethyl2isonicotinoyl2oxo23adihydro1Hspiro(indoline33pyrrolo(12a)quinoline)1carboxylate
1212445925
16397822
CCOC(=O)(C@H)1N2c3ccccc3C=C(C@H)2(C@)2((C@H)1C(=O)c1ccncc1)C(=O)Nc1c2cccc1
ethyl(1~(S)2~(R)3~(R)3~(a)~(S))2oxo2(pyridine4carbonyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)1carboxylate
ethyl(1S2R3R3aS)2oxo2(pyridin4ylcarbonyl)1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinoline)1carboxylate
InChI=1SC28H23N3O4c123526(33)2423(25(32)18131529161418)28(19845920(19)3027(28)34)221211177361021(17)31(22)24h3162224H2H21H3(H3034)t2223+2428+m0s1
MFCD03267456
ZINC000008964783
ZINC8964783
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