Vitas-M small molecule compound

4-{(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate

Catalog ID
STK958801
SMILES COc1cc(ccc1OC(=O)C(C)C)/C=C\1/N=C(OC1=O)c1ccc(cc1Cl)[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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c1-11(2)20(25)30-17-7-4-12(9-18(17)29-3)8-16-21(26)31-19(23-16)14-6-5-13(24(27)28)10-15(14)22/h4-11H,1-3H3/b16-8+
InChIKey
UQMKNMXPOFJKBO-LZYBPNLTSA-N
Synonyms
445287-06-9
(4((E)(2(2CHLORO4NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2METHOXYPHENYL)2METHYLPROPANOATE
4((2(2CHLORO4NITROPHENYL)5OXO13OXAZOL4(5H)YLIDENE)METHYL)2METHOXYPHENYL2METHYLPROPANOATE
4((E)(2(2chloro4nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)2methoxyphenyl2methylpropanoate
445287069
CC(C)C(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OC
COc1cc(ccc1OC(=O)C(C)C)C=C1N=C(OC1=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC21H17ClN2O7c111(2)20(25)30177412(918(17)293)81621(26)3119(2316)146513(24(27)28)1015(14)22h411H13H3b168+
MFCD02605681
ZINC000000673230
ZINC00673230
ZINC673230

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Available files

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