Vitas-M small molecule compound
1-(4-fluorophenyl)-2-({5-[(2-methoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK222130
SMILES COc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)c1ccc(cc1)F
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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 C20H20FN3O3S MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O3S/c1-13-4-9-17(18(10-13)26-3)27-11-19-22-23-20(24(19)2)28-12-16(25)14-5-7-15(21)8-6-14/h4-10H,11-12H2,1-3H3InChIKey
CKDAJNWSAFZRTR-UHFFFAOYSA-NSynonyms
1(4FLUOROPHENYL)2((5((2METHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4fluorophenyl)2((5((2methoxy4methylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)ethanone
CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)F)OC
InChI=1SC20H20FN3O3Sc1134917(18(1013)263)271119222320(24(19)2)281216(25)145715(21)8614h410H1112H213H3
MFCD07403177
ZINC000004816384
ZINC04816384
ZINC4816384
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