Vitas-M small molecule compound

5-benzyl-4-(prop-2-en-1-yl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK231832
SMILES C=CCn1c(Cc2ccccc2)nn(c1=S)C1c2ccccc2Oc2c1cccc2

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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 C25H21N3OS MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3OS/c1-2-16-27-23(17-18-10-4-3-5-11-18)26-28(25(27)30)24-19-12-6-8-14-21(19)29-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2
InChIKey
PJBYKRBPAUICKI-UHFFFAOYSA-N
Synonyms

5benzyl4(prop2en1yl)2(9Hxanthen9yl)24dihydro3H124triazole3thione
5BENZYL4PROP2ENYL2(9HXANTHEN9YL)124TRIAZOLE3THIONE
C=CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CC=CC=C5
InChI=1SC25H21N3OSc12162723(1718104351118)2628(25(27)30)241912681421(19)292215971320(22)24h21524H11617H2
MFCD05855223
ZINC000004694517
ZINC04694517
ZINC4694517

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Available files

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