Vitas-M small molecule compound
4-chloro-3,5-dimethylphenyl 2-methyl-3-nitrobenzoate
Catalog ID
STK388470
SMILES O=C(c1cccc(c1C)[N+](=O)[O-])Oc1cc(C)c(c(c1)C)Cl
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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 C16H14ClNO4 MW 319.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO4/c1-9-7-12(8-10(2)15(9)17)22-16(19)13-5-4-6-14(11(13)3)18(20)21/h4-8H,1-3H3InChIKey
VXXILAFCDXIHEU-UHFFFAOYSA-NSynonyms
519042-42-3(4CHLORO35DIMETHYLPHENYL)2METHYL3NITROBENZOATE
4chloro35dimethylphenyl2methyl3nitrobenzoate
519042423
CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C(=CC=C2)(N+)(=O)(O))C
InChI=1SC16H14ClNO4c19712(810(2)15(9)17)2216(19)1354614(11(13)3)18(20)21h48H13H3
MFCD03168832
O=C(c1cccc(c1C)(N+)(=O)(O))Oc1cc(C)c(c(c1)C)Cl
ZINC000000572111
ZINC00572111
ZINC572111
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