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Vitas-M small molecule compound

4-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate

Catalog ID
STK558991
SMILES Brc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1cccnc1

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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 C21H15BrN4O2S MW 467.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O2S/c22-17-7-9-18(10-8-17)26-19(16-2-1-11-23-12-16)24-25-21(26)29-13-14-3-5-15(6-4-14)20(27)28/h1-12H,13H2,(H,27,28)
InChIKey
ABTVZXUHGLILMC-UHFFFAOYSA-N
Synonyms
678558-55-9
4(((4(4BROMOPHENYL)5(3PYRIDINYL)124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4(((4(4BROMOPHENYL)5(3PYRIDINYL)4H124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4(((4(4BROMOPHENYL)5(3PYRIDYL)124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4(((4(4bromophenyl)5(pyridin3yl)4H124triazol2ium3yl)sulfanyl)methyl)benzoate
4(((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4(((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4((4(4BROMOPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4(4BROMOPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4(4BROMOPHENYL)5PYRIDIN3YL1H124TRIAZOL4IUM3YL)SULFANYLMETHYL)BENZOATE
678558559
Brc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)(O))(nH+)nc1c1cccnc1
C1=CC(=CN=C1)C2=(N+)(C(=NN2)SCC3=CC=C(C=C3)C(=O)(O))C4=CC=C(C=C4)Br
InChI=1SC21H15BrN4O2Sc22177918(10817)2619(162111231216)242521(26)2913143515(6414)20(27)28h112H13H2(H2728)
MFCD03474707
ZINC000001049838
ZINC1049838

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Available files

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