Vitas-M small molecule compound
1-benzyl-3-nitro-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
Catalog ID
STL392836
SMILES CC(Oc1ccc(cc1)/C=N/NC(=O)c1cc(nn1Cc1ccccc1)[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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-15(2)30-18-10-8-16(9-11-18)13-22-23-21(27)19-12-20(26(28)29)24-25(19)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,23,27)/b22-13+InChIKey
UHXUVWVYRRXMAI-LPYMAVHISA-NSynonyms
496834-58-31BENZYL3NITRON((E)(4(PROPAN2YLOXY)PHENYL)METHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
2benzyl5nitroN((E)(4propan2yloxyphenyl)methylideneamino)pyrazole3carboxamide
496834583
CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2CC3=CC=CC=C3)(N+)(=O)(O)
CC(Oc1ccc(cc1)C=NNC(=O)c1cc(nn1Cc1ccccc1)(N+)(=O)(O))C
InChI=1SC21H21N5O4c115(2)301810816(91118)13222321(27)191220(26(28)29)2425(19)14176435717h31315H14H212H3(H2327)b2213+
MFCD02372088
ZINC000002754025
ZINC101531709
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