Vitas-M small molecule compound

1-{(2E)-3-[3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-yl}piperidine

Catalog ID
STL012009
SMILES CSc1nnc(n1/C=C/CN1CCCCC1)c1ccc(cc1)[N+](=O)[O-]

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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 C17H21N5O2S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O2S/c1-25-17-19-18-16(14-6-8-15(9-7-14)22(23)24)21(17)13-5-12-20-10-3-2-4-11-20/h5-9,13H,2-4,10-12H2,1H3/b13-5+
InChIKey
YBQCRMWFJFELSV-WLRTZDKTSA-N
Synonyms

1((2E)3(3(methylsulfanyl)5(4nitrophenyl)4H124triazol4yl)prop2en1yl)piperidine
1((E)3(3methylsulfanyl5(4nitrophenyl)124triazol4yl)prop2enyl)piperidine
4((1E)3PIPERIDYLPROP1ENYL)3METHYLTHIO5(4NITROPHENYL)124TRIAZOLE
CSC1=NN=C(N1C=CCN2CCCCC2)C3=CC=C(C=C3)(N+)(=O)(O)
CSc1nnc(n1C=CCN1CCCCC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H21N5O2Sc12517191816(146815(9714)22(23)24)21(17)1351220103241120h5913H241012H21H3b135+
MFCD02249457
ZINC000034573006
ZINC34573006

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Available files

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