Vitas-M small molecule compound
methyl 4-methyl-3-[({2-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]benzoate
Catalog ID
STK308233
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1Cn1ncc(c1)[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 C20H18N4O5 MW 394.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5/c1-13-7-8-14(20(26)29-2)9-18(13)22-19(25)17-6-4-3-5-15(17)11-23-12-16(10-21-23)24(27)28/h3-10,12H,11H2,1-2H3,(H,22,25)InChIKey
KPDGQMSZWWVLHC-UHFFFAOYSA-NSynonyms
1005595-09-41005595094
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CN3C=C(C=N3)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1Cn1ncc(c1)(N+)(=O)(O))C
InChI=1SC20H18N4O5c1137814(20(26)292)918(13)2219(25)17643515(17)11231216(102123)24(27)28h31012H11H212H3(H2225)
methyl4methyl3(((2((4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)benzoate
METHYL4METHYL3((2((4NITROPYRAZOL1YL)METHYL)BENZOYL)AMINO)BENZOATE
MFCD04131942
ZINC000002796231
ZINC02796231
ZINC2796231
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