Vitas-M small molecule compound

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

Catalog ID
STK927294
SMILES O=C(c1ccc(c(c1)O)O)CSc1nnc([nH]1)c1ccco1

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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 C14H11N3O4S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O4S/c18-9-4-3-8(6-10(9)19)11(20)7-22-14-15-13(16-17-14)12-2-1-5-21-12/h1-6,18-19H,7H2,(H,15,16,17)
InChIKey
YSRCAUJGAQEAHE-UHFFFAOYSA-N
Synonyms
430444-03-4
1(34BIS(OXIDANYL)PHENYL)2((5(FURAN2YL)1H124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((5(2FURANYL)1H124TRIAZOL3YL)THIO)ETHANONE
1(34DIHYDROXYPHENYL)2((5(2FURYL)1H124TRIAZOL3YL)THIO)ETHANONE
1(34DIHYDROXYPHENYL)2((5(FURAN2YL)1H124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((5(FURAN2YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34dihydroxyphenyl)2((5(furan2yl)4H124triazol3yl)sulfanyl)ethanone
1(34DIHYDROXYPHENYL)2(5(2FURYL)(4H124TRIAZOL3YLTHIO))ETHAN1ONE
430444034
C1=COC(=C1)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)O)O
InChI=1SC14H11N3O4Sc189438(610(9)19)11(20)722141513(161714)122152112h161819H7H2(H151617)
MFCD02366322
O=C(c1ccc(c(c1)O)O)CSc1nnc((nH)1)c1ccco1
ZINC000002501169
ZINC02501169
ZINC2501169

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.