Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Catalog ID
STK301864
SMILES COc1cc2c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cn(nc1C)C)oc1c2cccc1
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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 C28H23ClN6O3S MW 559.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN6O3S/c1-16-21(14-34(2)33-16)27-31-32-28(35(27)18-10-8-17(29)9-11-18)39-15-26(36)30-22-13-24-20(12-25(22)37-3)19-6-4-5-7-23(19)38-24/h4-14H,15H2,1-3H3,(H,30,36)InChIKey
GHFAXCXJEKTEHB-UHFFFAOYSA-NSynonyms
494747-30-72((4(4chlorophenyl)5(13dimethyl1Hpyrazol4yl)4H124triazol3yl)sulfanyl)N(2methoxydibenzo(bd)furan3yl)acetamide
2((4(4CHLOROPHENYL)5(13DIMETHYLPYRAZOL4YL)124TRIAZOL3YL)SULFANYL)N(2METHOXYDIBENZOFURAN3YL)ACETAMIDE
494747307
CC1=NN(C=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC)C
InChI=1SC28H23ClN6O3Sc11621(1434(2)3316)27313228(35(27)1810817(29)91118)391526(36)3022132420(1225(22)373)19645723(19)3824h414H15H213H3(H3036)
MFCD03074636
ZINC000002743878
ZINC2743878
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