Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone

Catalog ID
STL053873
SMILES CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)Cl

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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 C18H16ClN3O3S MW 389.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3S/c1-2-22-17(11-3-6-13(19)7-4-11)20-21-18(22)26-10-16(25)12-5-8-14(23)15(24)9-12/h3-9,23-24H,2,10H2,1H3
InChIKey
AVLBVROSKDFCEM-UHFFFAOYSA-N
Synonyms
714293-02-4
1(34BIS(OXIDANYL)PHENYL)2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)THIO)1(34DIHYDROXYPHENYL)ETHANONE
2((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHAN1ONE
2((5(4chlorophenyl)4ethyl4H124triazol3yl)sulfanyl)1(34dihydroxyphenyl)ethanone
2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)1(34dihydroxyphenyl)ethanone
714293024
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=C(C=C3)Cl
InChI=1SC18H16ClN3O3Sc122217(113613(19)7411)202118(22)261016(25)125814(23)15(24)912h392324H210H21H3
MFCD05679325
ZINC000001269737
ZINC01269737
ZINC1269737

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Available files

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