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Vitas-M small molecule compound

4-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)-2-hydroxyphenolate

Catalog ID
STK560570
SMILES Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)[O-])[nH+]nc1c1ccncc1

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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 C21H15ClN4O3S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O3S/c22-15-2-4-16(5-3-15)26-20(13-7-9-23-10-8-13)24-25-21(26)30-12-19(29)14-1-6-17(27)18(28)11-14/h1-11,27-28H,12H2
InChIKey
XPVYWAPJBOLDNP-UHFFFAOYSA-N
Synonyms
575466-45-4
1(34BIS(OXIDANYL)PHENYL)2((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2(4(4CHLOROPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
2((4(4CHLOROPHENYL)5(4PYRIDYL)124TRIAZOL3YL)THIO)1(34DIHYDROXYPHENYL)ETHANONE
2((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHAN1ONE
2((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
2((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)1(34DIHYDROXYPHENYL)ETHANONE
2((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
2((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)THIO)1(34DIHYDROXYPHENYL)ETHANONE
4(((4(4chlorophenyl)5(pyridin4yl)4H124triazol2ium3yl)sulfanyl)acetyl)2hydroxyphenolate
575466454
C1=CC(=CC=C1N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)O)O)C4=CC=NC=C4)Cl
Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)(O))(nH+)nc1c1ccncc1
InChI=1SC21H15ClN4O3Sc22152416(5315)2620(13792310813)242521(26)301219(29)141617(27)18(28)1114h1112728H12H2
MFCD03222785
ZINC000002375364
ZINC02375364
ZINC2375364

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Available files

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