Vitas-M small molecule compound
2-({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK736296
SMILES COc1ccc(cc1OC)C(=O)CSc1nnc(n1Cc1ccccc1)COc1ccccc1C
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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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-19-9-7-8-12-23(19)34-17-26-28-29-27(30(26)16-20-10-5-4-6-11-20)35-18-22(31)21-13-14-24(32-2)25(15-21)33-3/h4-15H,16-18H2,1-3H3InChIKey
BVTMYIYEIGPIEI-UHFFFAOYSA-NSynonyms
2((4BENZYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((4benzyl5((2methylphenoxy)methyl)4H124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
CC1=CC=CC=C1OCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC(=C(C=C4)OC)OC
InChI=1SC27H27N3O4Sc1199781223(19)341726282927(30(26)1620105461120)351822(31)21131424(322)25(1521)333h415H1618H213H3
MFCD07022010
ZINC000012463140
ZINC12463140
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