Vitas-M small molecule compound
2-({(E)-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK263875
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=N/N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
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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 C23H21ClN2O4 MW 424.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O4/c1-3-7-30-21-17(24)8-12(9-18(21)29-4-2)11-25-26-22(27)19-13-5-6-14(16-10-15(13)16)20(19)23(26)28/h1,5-6,8-9,11,13-16,19-20H,4,7,10H2,2H3/b25-11+InChIKey
VSXSWWHUESONNS-OPEKNORGSA-NSynonyms
2(((E)(3CHLORO5ETHOXY4(PROP2YN1YLOXY)PHENYL)METHYLIDENE)AMINO)HEXAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOLE13(2H3AH)DIONE
C#CCOc1c(Cl)cc(cc1OCC)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Cl)OCC#C
InChI=1SC23H21ClN2O4c137302117(24)812(918(21)2942)11252622(27)19135614(161015(13)16)20(19)23(26)28h156891113161920H4710H22H3b2511+
MFCD03993011
ZINC000245226997
ZINC000245227000
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