Vitas-M small molecule compound
2-(2-chloro-5-nitrophenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STL387373
SMILES O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1Cl)[N+](=O)[O-])C1C3C1
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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 C17H13ClN2O4 MW 344.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O4/c18-12-4-1-7(20(23)24)5-13(12)19-16(21)14-8-2-3-9(11-6-10(8)11)15(14)17(19)22/h1-5,8-11,14-15H,6H2InChIKey
YEPKVCZGNVXKKG-UHFFFAOYSA-NSynonyms
(3AR4S4AR5AS6R6AS)2(2CHLORO5NITROPHENYL)HEXAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOLE13(2H3AH)DIONE
2(2chloro5nitrophenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=C(C=CC(=C5)(N+)(=O)(O))Cl
InChI=1SC17H13ClN2O4c1812417(20(23)24)513(12)1916(21)148239(11610(8)11)15(14)17(19)22h158111415H6H2
MFCD01142189
O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1Cl)(N+)(=O)(O))C1C3C1
ZINC000239433625
ZINC000239433628
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