Vitas-M small molecule compound
3-({3-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}methyl)benzoic acid
Catalog ID
STK788162
SMILES OC(=O)c1cccc(c1)Cn1c(nnc1S)Cc1ccc2c(c1)CCC(O2)(C)C
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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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-22(2)9-8-16-10-14(6-7-18(16)28-22)12-19-23-24-21(29)25(19)13-15-4-3-5-17(11-15)20(26)27/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,29)(H,26,27)InChIKey
JMUQQALRDMZMLJ-UHFFFAOYSA-NSynonyms
1010912-36-33((3((22DIMETHYL34DIHYDRO2HCHROMEN6YL)METHYL)5SULFANYL4H124TRIAZOL4YL)METHYL)BENZOICACID
3((3((22DIMETHYL34DIHYDRO2HCHROMEN6YL)METHYL)5THIOXO15DIHYDRO4H124TRIAZOL4YL)METHYL)BENZOICACID
3((3((22dimethyl34dihydrochromen6yl)methyl)5sulfanylidene1H124triazol4yl)methyl)benzoicacid
3((3((22dimethylchroman6yl)methyl)5mercapto4H124triazol4yl)methyl)benzoicacid
CC1(CCC2=C(O1)C=CC(=C2)CC3=NNC(=S)N3CC4=CC=CC(=C4)C(=O)O)C
InChI=1SC22H23N3O3Sc122(2)98161014(6718(16)2822)1219232421(29)25(19)131543517(1115)20(26)27h371011H891213H212H3(H2429)(H2627)
MFCD12035177
ZINC12390715
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