Vitas-M small molecule compound
1-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid
Catalog ID
STL300904
SMILES Cc1ccc(cc1)Cn1nc(cc1C(=O)O)[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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-8-2-4-9(5-3-8)7-14-10(12(16)17)6-11(13-14)15(18)19/h2-6H,7H2,1H3,(H,16,17)InChIKey
BEWYIEFDAZKWCF-UHFFFAOYSA-NSynonyms
491831-81-31((4METHYLPHENYL)METHYL)3NITROPYRAZOLE5CARBOXYLICACID
1(4methylbenzyl)3nitro1Hpyrazole5carboxylicacid
2((4METHYLPHENYL)METHYL)5NITROPYRAZOLE3CARBOXYLICACID
2(4METHYLBENZYL)5NITRO2HPYRAZOLE3CARBOXYLICACID
3NITRO1(4METHYLBENZYL)1HPYRAZOLE5CARBOXYLICACID
491831813
CC1=CC=C(C=C1)CN2C(=CC(=N2)(N+)(=O)(O))C(=O)O
Cc1ccc(cc1)Cn1nc(cc1C(=O)O)(N+)(=O)(O)
InChI=1SC12H11N3O4c18249(538)71410(12(16)17)611(1314)15(18)19h26H7H21H3(H1617)
MFCD01114888
ZINC000000368960
ZINC368960
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