Vitas-M small molecule compound

4-[3-(4-bromophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid

Catalog ID
STK764290
SMILES Brc1ccc(cc1)c1n[nH]c(=S)n1c1ccc(cc1)C(=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 C15H10BrN3O2S MW 376.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10BrN3O2S/c16-11-5-1-9(2-6-11)13-17-18-15(22)19(13)12-7-3-10(4-8-12)14(20)21/h1-8H,(H,18,22)(H,20,21)
InChIKey
UYQAITQKGOMXCK-UHFFFAOYSA-N
Synonyms
361465-91-0
361465910
4(3(4BROMOPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
4(3(4BROMOPHENYL)5THIOXO15DIHYDRO(124)TRIAZOL4YL)BENZOICACID
4(3(4bromophenyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
4(3(4bromophenyl)5thioxo1H124triazol4(5H)yl)benzoicacid
4(3(4BROMOPHENYL)5THIOXO1H124TRIAZOL4YL)BENZOICACID
Brc1ccc(cc1)c1n(nH)c(=S)n1c1ccc(cc1)C(=O)O
C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)Br
InChI=1SC15H10BrN3O2Sc1611519(2611)13171815(22)19(13)127310(4812)14(20)21h18H(H1822)(H2021)
MFCD02648820
ZINC000004183285
ZINC4183285

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Available files

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