Vitas-M small molecule compound
2-(4-methoxy-2-nitrophenyl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK258023
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=C1
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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 C19H18N2O5 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5/c1-9(2)15-11-5-6-12(15)17-16(11)18(22)20(19(17)23)13-7-4-10(26-3)8-14(13)21(24)25/h4-8,11-12,16-17H,1-3H3InChIKey
ACQONOVWRBWMHI-UHFFFAOYSA-NSynonyms
2(4methoxy2nitrophenyl)8(propan2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)OC)(N+)(=O)(O))C
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=C1
InChI=1SC19H18N2O5c19(2)15115612(15)1716(11)18(22)20(19(17)23)137410(263)814(13)21(24)25h4811121617H13H3
MFCD01802270
ZINC000100184659
ZINC000101359457
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