Vitas-M small molecule compound

3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(4-ethoxyphenyl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine

Catalog ID
STL395005
SMILES CCOc1ccc(cc1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[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 C18H21N7O3S MW 415.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O3S/c1-5-28-16-8-6-15(7-9-16)10-19-24-14(4)20-21-18(24)29-11-23-13(3)17(25(26)27)12(2)22-23/h6-10H,5,11H2,1-4H3/b19-10+
InChIKey
REMTXVODHYAEOB-VXLYETTFSA-N
Synonyms
1005578-47-1
(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(4ethoxyphenyl)methanimine
1005578471
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CCOC1=CC=C(C=C1)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
CCOc1ccc(cc1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC18H21N7O3Sc1528168615(7916)10192414(4)202118(24)29112313(3)17(25(26)27)12(2)2223h610H511H214H3b1910+
MFCD05667583
ZINC000002733241
ZINC2733240

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Available files

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