Vitas-M small molecule compound
N-[(E)-(5-benzylthiophen-2-yl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL393541
SMILES Cc1nnc(n1/N=C/c1ccc(s1)Cc1ccccc1)SCn1nc(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 C21H21N7O2S2 MW 467.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O2S2/c1-14-20(28(29)30)15(2)26(25-14)13-31-21-24-23-16(3)27(21)22-12-19-10-9-18(32-19)11-17-7-5-4-6-8-17/h4-10,12H,11,13H2,1-3H3/b22-12+InChIKey
BCQSECCKGMZZMA-WSDLNYQXSA-NSynonyms
1005578-27-7(E)1(5benzylthiophen2yl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005578277
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(S3)CC4=CC=CC=C4)C)C)(N+)(=O)(O)
Cc1nnc(n1N=Cc1ccc(s1)Cc1ccccc1)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H21N7O2S2c11420(28(29)30)15(2)26(2514)133121242316(3)27(21)22121910918(3219)11177546817h41012H1113H213H3b2212+
MFCD05667529
N((E)(5BENZYLTHIOPHEN2YL)METHYLIDENE)3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5METHYL4H124TRIAZOL4AMINE
ZINC000002733164
ZINC101587450
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