Vitas-M small molecule compound
4-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)-2-hydroxyphenolate
Catalog ID
STL045419
SMILES Brc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)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 C21H15BrN4O3S MW 483.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O3S/c22-15-4-6-16(7-5-15)26-20(14-2-1-9-23-11-14)24-25-21(26)30-12-19(29)13-3-8-17(27)18(28)10-13/h1-11,27-28H,12H2InChIKey
PMJUDGXVZMLQMF-UHFFFAOYSA-NSynonyms
586991-72-22((4(4BROMOPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
4(((4(4bromophenyl)5(pyridin3yl)4H124triazol2ium3yl)sulfanyl)acetyl)2hydroxyphenolate
586991722
Brc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)(O))(nH+)nc1c1cccnc1
C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC(=C(C=C4)O)O
InChI=1SC21H15BrN4O3Sc22154616(7515)2620(14219231114)242521(26)301219(29)133817(27)18(28)1013h1112728H12H2
MFCD03224898
ZINC000002394158
ZINC02394158
ZINC2394158
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