Vitas-M small molecule compound
(2E)-3-(3-nitrophenyl)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-one
Catalog ID
STK806715
SMILES C#CCSc1nncn1C(=O)/C=C/c1cccc(c1)[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 C14H10N4O3S MW 314.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N4O3S/c1-2-8-22-14-16-15-10-17(14)13(19)7-6-11-4-3-5-12(9-11)18(20)21/h1,3-7,9-10H,8H2/b7-6+InChIKey
JPKRENFUAGYWNH-VOTSOKGWSA-NSynonyms
324779-76-2(2E)3(3nitrophenyl)1(3(prop2yn1ylsulfanyl)4H124triazol4yl)prop2en1one
(2E)3(3NITROPHENYL)1(3PROP2YNYLTHIO(124TRIAZOL4YL))PROP2EN1ONE
(E)3(3nitrophenyl)1(3(prop2yn1ylthio)4H124triazol4yl)prop2en1one
(E)3(3NITROPHENYL)1(3PROP2YNYLSULFANYL124TRIAZOL4YL)PROP2EN1ONE
324779762
C#CCSC1=NN=CN1C(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
C#CCSc1nncn1C(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC14H10N4O3Sc128221416151017(14)13(19)761143512(911)18(20)21h137910H8H2b76+
MFCD01795569
ZINC000004078747
ZINC04078747
ZINC4078747
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