Vitas-M small molecule compound

4-[(E)-{2-[(3-tert-butyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]-2-methoxy-3-nitrophenyl acetate

Catalog ID
STK069076
SMILES COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)c1[nH]nc(c1)C(C)(C)C)OC(=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 C18H21N5O6 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O6/c1-10(24)29-13-7-6-11(15(23(26)27)16(13)28-5)9-19-22-17(25)12-8-14(21-20-12)18(2,3)4/h6-9H,1-5H3,(H,20,21)(H,22,25)/b19-9+
InChIKey
KLUKDBPACVCMAF-DJKKODMXSA-N
Synonyms

(4((E)((5TERTBUTYL1HPYRAZOLE3CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXY3NITROPHENYL)ACETATE
(E)4((2(3(tertbutyl)1Hpyrazole5carbonyl)hydrazono)methyl)2methoxy3nitrophenylacetate
4((E)(2((3TERTBUTYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXY3NITROPHENYLACETATE
CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)C2=NNC(=C2)C(C)(C)C)(N+)(=O)(O))OC
COc1c(ccc(c1(N+)(=O)(O))C=NNC(=O)c1(nH)nc(c1)C(C)(C)C)OC(=O)C
InChI=1SC18H21N5O6c110(24)29137611(15(23(26)27)16(13)285)9192217(25)12814(212012)18(23)4h69H15H3(H2021)(H2225)b199+
MFCD02238896
STK069076
ZINC000012437032
ZINC33352427

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Available files

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