Vitas-M small molecule compound

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

Catalog ID
STK735902
SMILES C=CCn1c(nn(c1=S)C1c2ccccc2Oc2c1cccc2)c1ccccc1Cl

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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 C24H18ClN3OS MW 431.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3OS/c1-2-15-27-23(16-9-3-6-12-19(16)25)26-28(24(27)30)22-17-10-4-7-13-20(17)29-21-14-8-5-11-18(21)22/h2-14,22H,1,15H2
InChIKey
BSGYEPGONQURTC-UHFFFAOYSA-N
Synonyms

5(2chlorophenyl)4(prop2en1yl)2(9Hxanthen9yl)24dihydro3H124triazole3thione
5(2CHLOROPHENYL)4PROP2ENYL2(9HXANTHEN9YL)124TRIAZOLE3THIONE
C=CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CC=C5Cl
InChI=1SC24H18ClN3OSc12152723(169361219(16)25)2628(24(27)30)221710471320(17)292114851118(21)22h21422H115H2
MFCD05855225
ZINC000012363682
ZINC12363682

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Available files

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