Vitas-M small molecule compound

4-{[(E)-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK311106
SMILES COc1cc(ccc1OCn1nc(c(c1C)[N+](=O)[O-])C)/C=N/n1cnnc1S

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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 C16H17N7O4S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7O4S/c1-10-15(23(24)25)11(2)22(20-10)9-27-13-5-4-12(6-14(13)26-3)7-18-21-8-17-19-16(21)28/h4-8H,9H2,1-3H3,(H,19,28)/b18-7+
InChIKey
YYSHQRSCYULSLK-CNHKJKLMSA-N
Synonyms
1005570-80-8
1005570808
4(((E)(4((35dimethyl4nitro1Hpyrazol1yl)methoxy)3methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((1E)2(4((35DIMETHYL4NITROPYRAZOLYL)METHOXY)3METHOXYPHENYL)1AZAVINYL)124TRIAZOLE3THIOL
4((E)(4((35dimethyl4nitropyrazol1yl)methoxy)3methoxyphenyl)methylideneamino)1H124triazole5thione
CC1=C(C(=NN1COC2=C(C=C(C=C2)C=NN3C=NNC3=S)OC)C)(N+)(=O)(O)
COc1cc(ccc1OCn1nc(c(c1C)(N+)(=O)(O))C)C=Nn1cnnc1S
InChI=1SC16H17N7O4Sc11015(23(24)25)11(2)22(2010)927135412(614(13)263)718218171916(21)28h48H9H213H3(H1928)b187+
MFCD04059126
ZINC000002808474
ZINC2808473

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Available files

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