Vitas-M small molecule compound
4-(2-phenylpropan-2-yl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK444384
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Oc1ccc(cc1)C(c1ccccc1)(C)C
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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 C22H18ClNO4 MW 395.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO4/c1-22(2,16-6-4-3-5-7-16)17-9-11-18(12-10-17)28-21(25)15-8-13-19(23)20(14-15)24(26)27/h3-14H,1-2H3InChIKey
ZNFDKXHOMVDYPL-UHFFFAOYSA-NSynonyms
(4(2PHENYLPROPAN2YL)PHENYL)4CHLORO3NITROBENZOATE
4(1METHYL1PHENYLETHYL)PHENYL4CHLORO3NITROBENZOATE
4(2phenylpropan2yl)phenyl4chloro3nitrobenzoate
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC22H18ClNO4c122(2166435716)1791118(121017)2821(25)1581319(23)20(1415)24(26)27h314H12H3
MFCD01241594
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Oc1ccc(cc1)C(c1ccccc1)(C)C
ZINC000002070137
ZINC02070137
ZINC2070137
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