Vitas-M small molecule compound
2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Catalog ID
STK728188
SMILES O=c1cc(C)c(c(o1)C)C(=O)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1[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 C22H16ClNO8 MW 457.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClNO8/c1-12-10-19(26)31-13(2)20(12)22(27)30-11-18(25)14-6-8-15(9-7-14)32-21-16(23)4-3-5-17(21)24(28)29/h3-10H,11H2,1-2H3InChIKey
LYPOHEKOLBVSAJ-UHFFFAOYSA-NSynonyms
383372-41-6(2(4(2CHLORO6NITROPHENOXY)PHENYL)2OXOETHYL)24DIMETHYL6OXOPYRAN3CARBOXYLATE
2(4(2chloro6nitrophenoxy)phenyl)2oxoethyl46dimethyl2oxo2Hpyran5carboxylate
383372416
CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3Cl)(N+)(=O)(O))C
InChI=1SC22H16ClNO8c1121019(26)3113(2)20(12)22(27)301118(25)146815(9714)322116(23)43517(21)24(28)29h310H11H212H3
MFCD02041080
O=c1cc(C)c(c(o1)C)C(=O)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1(N+)(=O)(O)
ZINC000001099236
ZINC01099236
ZINC1099236
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