Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Catalog ID
STK807802
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1ccc2c(c1)OCO2
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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 C24H18FN3O4S MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O4S/c1-30-19-9-7-18(8-10-19)28-23(16-4-11-21-22(12-16)32-14-31-21)26-27-24(28)33-13-20(29)15-2-5-17(25)6-3-15/h2-12H,13-14H2,1H3InChIKey
OTQGNBWLBPPBGE-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2((5(13benzodioxol5yl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI=1SC24H18FN3O4Sc130199718(81019)2823(164112122(1216)32143121)262724(28)331320(29)152517(25)6315h212H1314H21H3
MFCD06257256
ZINC000001468054
ZINC01468054
ZINC1468054
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