Vitas-M small molecule compound
(2E)-3-(3-{[(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}phenyl)prop-2-enoic acid
Catalog ID
STL334705
SMILES OC(=O)/C=C/c1cccc(c1)NC(=O)c1n(C)nc(c1[N+](=O)[O-])C(C)(C)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 C18H20N4O5 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5/c1-18(2,3)16-14(22(26)27)15(21(4)20-16)17(25)19-12-7-5-6-11(10-12)8-9-13(23)24/h5-10H,1-4H3,(H,19,25)(H,23,24)/b9-8+InChIKey
GJEVDBNOUXAWES-CMDGGOBGSA-NSynonyms
376611-35-7(2E)3(3(((3tertbutyl1methyl4nitro1Hpyrazol5yl)carbonyl)amino)phenyl)prop2enoicacid
(E)3(3((5TERTBUTYL2METHYL4NITROPYRAZOLE3CARBONYL)AMINO)PHENYL)PROP2ENOICACID
(E)3(3(3(tertbutyl)1methyl4nitro1Hpyrazole5carboxamido)phenyl)acrylicacid
376611357
CC(C)(C)C1=NN(C(=C1(N+)(=O)(O))C(=O)NC2=CC=CC(=C2)C=CC(=O)O)C
InChI=1SC18H20N4O5c118(23)1614(22(26)27)15(21(4)2016)17(25)191275611(1012)8913(23)24h510H14H3(H1925)(H2324)b98+
MFCD02162986
OC(=O)C=Cc1cccc(c1)NC(=O)c1n(C)nc(c1(N+)(=O)(O))C(C)(C)C
ZINC000004904234
ZINC4904234
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