Vitas-M small molecule compound

N'-{(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-3-methyl-1H-pyrazole-5-carbohydrazide

Catalog ID
STK256156
SMILES CCOc1cc(/C=N/NC(=O)c2[nH]nc(c2)C)ccc1Oc1ccc(cc1[N+](=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 C20H18N6O7 MW 454.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O7/c1-3-32-19-9-13(11-21-24-20(27)15-8-12(2)22-23-15)4-6-18(19)33-17-7-5-14(25(28)29)10-16(17)26(30)31/h4-11H,3H2,1-2H3,(H,22,23)(H,24,27)/b21-11+
InChIKey
LOLHPEWRKGQZMN-SRZZPIQSSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NNC(=C2)C)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(C=NNC(=O)c2(nH)nc(c2)C)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H18N6O7c133219913(11212420(27)15812(2)222315)4618(19)33177514(25(28)29)1016(17)26(30)31h411H3H212H3(H2223)(H2427)b2111+
MFCD01020397
N((E)(4(24DINITROPHENOXY)3ETHOXYPHENYL)METHYLIDENE)3METHYL1HPYRAZOLE5CARBOHYDRAZIDE
N((E)(4(24DINITROPHENOXY)3ETHOXYPHENYL)METHYLIDENEAMINO)5METHYL1HPYRAZOLE3CARBOXAMIDE
N(4(24BISNITROPHENOXY)3ETHOXYBENZYLIDENE)3METHYL1HPYRAZOLE5CARBOHYDRAZIDE
ZINC000008411709
ZINC33347448

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.