Vitas-M small molecule compound
N'-[(E)-{3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanehydrazide
Catalog ID
STL051244
SMILES COc1ccc(cc1CSC1=NCCS1)/C=N/NC(=O)C(n1nc(c(c1C)[N+](=O)[O-])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 C20H24N6O4S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O4S2/c1-12-18(26(28)29)13(2)25(24-12)14(3)19(27)23-22-10-15-5-6-17(30-4)16(9-15)11-32-20-21-7-8-31-20/h5-6,9-10,14H,7-8,11H2,1-4H3,(H,23,27)/b22-10+InChIKey
PUKCLIRXOIQZCJ-LSHDLFTRSA-NSynonyms
714945-42-3(E)N(3(((45dihydrothiazol2yl)thio)methyl)4methoxybenzylidene)2(35dimethyl4nitro1Hpyrazol1yl)propanehydrazide
714945423
CC1=C(C(=NN1C(C)C(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=NCCS3)C)(N+)(=O)(O)
COc1ccc(cc1CSC1=NCCS1)C=NNC(=O)C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC20H24N6O4S2c11218(26(28)29)13(2)25(2412)14(3)19(27)232210155617(304)16(915)11322021783120h5691014H7811H214H3(H2327)b2210+
MFCD03887857
N((E)(3((45dihydro13thiazol2ylsulfanyl)methyl)4methoxyphenyl)methylidene)2(35dimethyl4nitro1Hpyrazol1yl)propanehydrazide
N((E)(3(45dihydro13thiazol2ylsulfanylmethyl)4methoxyphenyl)methylideneamino)2(35dimethyl4nitropyrazol1yl)propanamide
ZINC000002406741
ZINC000002406743
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