Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Catalog ID
STK219102
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)C)COc1c(C)cccc1C
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-18-8-12-22(13-9-18)30-25(16-33-26-19(2)6-5-7-20(26)3)28-29-27(30)34-17-24(31)21-10-14-23(32-4)15-11-21/h5-15H,16-17H2,1-4H3InChIKey
BSFYSLNLFPWTAT-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)OC)COC4=C(C=CC=C4C)C
InChI=1SC27H27N3O3Sc11881222(13918)3025(16332619(2)65720(26)3)282927(30)341724(31)21101423(324)151121h515H1617H214H3
MFCD06007275
ZINC000001066256
ZINC01066256
ZINC1066256
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