Vitas-M small molecule compound
(1,3-dimethyl-1H-pyrazol-4-yl)methyl 2-chloro-4-nitrobenzoate
Catalog ID
STK962018
SMILES Cn1nc(c(c1)COC(=O)c1ccc(cc1Cl)[N+](=O)[O-])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 C13H12ClN3O4 MW 309.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O4/c1-8-9(6-16(2)15-8)7-21-13(18)11-4-3-10(17(19)20)5-12(11)14/h3-6H,7H2,1-2H3InChIKey
DNADZZZLTWOHDB-UHFFFAOYSA-NSynonyms
(13DIMETHYL1HPYRAZOL4YL)METHYL2CHLORO4NITROBENZOATE
(13DIMETHYLPYRAZOL4YL)METHYL2CHLORO4NITROBENZOATE
CC1=NN(C=C1COC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C
Cn1nc(c(c1)COC(=O)c1ccc(cc1Cl)(N+)(=O)(O))C
InChI=1SC13H12ClN3O4c189(616(2)158)72113(18)114310(17(19)20)512(11)14h36H7H212H3
MFCD02612152
ZINC000002783014
ZINC02783014
ZINC2783014
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