Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-{(E)-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL396035
SMILES CCOCc1cc(/C=N/n2c(C)nnc2SCn2nc(c(c2C)[N+](=O)[O-])C)ccc1OC
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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 C20H25N7O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7O4S/c1-6-31-11-17-9-16(7-8-18(17)30-5)10-21-26-15(4)22-23-20(26)32-12-25-14(3)19(27(28)29)13(2)24-25/h7-10H,6,11-12H2,1-5H3/b21-10+InChIKey
MZNDEVPURLWSDE-UFFVCSGVSA-NSynonyms
1005578-23-3(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(3(ethoxymethyl)4methoxyphenyl)methanimine
1005578233
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(3(ETHOXYMETHYL)4METHOXYPHENYL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CCOCC1=C(C=CC(=C1)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C)OC
CCOCc1cc(C=Nn2c(C)nnc2SCn2nc(c(c2C)(N+)(=O)(O))C)ccc1OC
InChI=1SC20H25N7O4Sc16311117916(7818(17)305)10212615(4)222320(26)32122514(3)19(27(28)29)13(2)2425h710H61112H215H3b2110+
MFCD05667518
ZINC000002733142
ZINC2733141
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