Vitas-M small molecule compound
2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK221931
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)COc1ccc(cc1)Cl
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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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-4-25-20(12-29-16-8-6-15(22)7-9-16)23-24-21(25)30-13-17(26)14-5-10-18(27-2)19(11-14)28-3/h5-11H,4,12-13H2,1-3H3InChIKey
NHQXHZSWPGYYAH-UHFFFAOYSA-NSynonyms
2((5((4CHLOROPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5((4CHLOROPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2(5(4CHLOROPHENOXYMETHYL)4ETHYL4H(124)TRIAZOL3YLSULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)COC3=CC=C(C=C3)Cl
InChI=1SC21H22ClN3O4Sc142520(1229168615(22)7916)232421(25)301317(26)1451018(272)19(1114)283h511H41213H213H3
MFCD07401740
ZINC000009303066
ZINC09303066
ZINC9303066
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