Vitas-M small molecule compound

2-{5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyrazine

Catalog ID
STK568007
SMILES C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1nccnc1

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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 C16H14N6O2S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O2S/c1-2-9-21-15(14-10-17-7-8-18-14)19-20-16(21)25-11-12-3-5-13(6-4-12)22(23)24/h2-8,10H,1,9,11H2
InChIKey
BAUYKTCDGWHPCV-UHFFFAOYSA-N
Synonyms
578754-89-9
2(4allyl5((4nitrobenzyl)thio)4H124triazol3yl)pyrazine
2(5(((4NITROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PYRAZINE
2(5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)pyrazine
2(5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)PYRAZINE
3((4NITROPHENYL)METHYLTHIO)4PROP2ENYL5PYRAZIN2YL124TRIAZOLE
578754899
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=NC=CN=C3
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1nccnc1
InChI=1SC16H14N6O2Sc1292115(141017781814)192016(21)2511123513(6412)22(23)24h2810H1911H2
MFCD04024415
ZINC000005081555
ZINC05081555
ZINC5081555

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Available files

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