Vitas-M small molecule compound

3-(methylsulfanyl)-5-(4-nitrophenyl)-4-[(1E)-2-(pyrrolidin-1-yl)prop-1-en-1-yl]-4H-1,2,4-triazole

Catalog ID
STL012007
SMILES CSc1nnc(n1/C=C(/N1CCCC1)\C)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 C16H19N5O2S MW 345.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O2S/c1-12(19-9-3-4-10-19)11-20-15(17-18-16(20)24-2)13-5-7-14(8-6-13)21(22)23/h5-8,11H,3-4,9-10H2,1-2H3/b12-11+
InChIKey
VRYNCHOYSHZQQB-VAWYXSNFSA-N
Synonyms

3(methylsulfanyl)5(4nitrophenyl)4((1E)2(pyrrolidin1yl)prop1en1yl)4H124triazole
3methylsulfanyl5(4nitrophenyl)4((E)2pyrrolidin1ylprop1enyl)124triazole
CC(=CN1C(=NN=C1SC)C2=CC=C(C=C2)(N+)(=O)(O))N3CCCC3
CSc1nnc(n1C=C(N1CCCC1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H19N5O2Sc112(199341019)112015(171816(20)242)135714(8613)21(22)23h5811H34910H212H3b1211+
MFCD18074653
ZINC000051353963
ZINC51353963

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Available files

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