Vitas-M small molecule compound

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK218905
SMILES C=CCn1c(SCC(=O)c2ccccc2)nnc1c1cc2c(o1)cccc2

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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 C21H17N3O2S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S/c1-2-12-24-20(19-13-16-10-6-7-11-18(16)26-19)22-23-21(24)27-14-17(25)15-8-4-3-5-9-15/h2-11,13H,1,12,14H2
InChIKey
SDJJTTZLKBYYDT-UHFFFAOYSA-N
Synonyms

2((4ALLYL5(1BENZOFURAN2YL)4H124TRIAZOL3YL)THIO)1PHENYLETHANONE
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4O3
InChI=1SC21H17N3O2Sc12122420(19131610671118(16)2619)222321(24)271417(25)158435915h21113H11214H2
MFCD06000140
ZINC000001074353
ZINC01074353
ZINC1074353

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Available files

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