Vitas-M small molecule compound
2-(3-chloro-4-methylphenyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK359160
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)Cl)C)Oc1ccc(cc1)[N+](=O)[O-]
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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 C21H13ClN2O5 MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O5/c1-12-2-3-14(10-19(12)22)23-20(25)17-9-8-16(11-18(17)21(23)26)29-15-6-4-13(5-7-15)24(27)28/h2-11H,1H3InChIKey
YMHICQHHHIHJPQ-UHFFFAOYSA-NSynonyms
2(3chloro4methylphenyl)5(4nitrophenoxy)1Hisoindole13(2H)dione
2(3CHLORO4METHYLPHENYL)5(4NITROPHENOXY)ISOINDOLE13DIONE
CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC21H13ClN2O5c1122314(1019(12)22)2320(25)179816(1118(17)21(23)26)29156413(5715)24(27)28h211H1H3
MFCD01884777
O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)Cl)C)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000004553117
ZINC04553117
ZINC4553117
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