Vitas-M small molecule compound

1-(3,4-dimethoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK230960
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1C)c1ccccc1OC

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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-23-19(14-7-5-6-8-16(14)25-2)21-22-20(23)28-12-15(24)13-9-10-17(26-3)18(11-13)27-4/h5-11H,12H2,1-4H3
InChIKey
CHCIITMLFPQUAB-UHFFFAOYSA-N
Synonyms

1(34DIMETHOXYPHENYL)2((5(2METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34dimethoxyphenyl)2((5(2methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3OC
InChI=1SC20H21N3O4Sc12319(14756816(14)252)212220(23)281215(24)1391017(263)18(1113)274h511H12H214H3
MFCD07791756
ZINC000004736354
ZINC04736354
ZINC4736354

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Available files

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