Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethanone
Catalog ID
STK737458
SMILES Cn1c(SCC(=O)n2c3CCCCc3c3c2CCCC3)nnc1COc1ccc2c(c1)OCO2
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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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-28-23(13-31-16-10-11-21-22(12-16)33-15-32-21)26-27-25(28)34-14-24(30)29-19-8-4-2-6-17(19)18-7-3-5-9-20(18)29/h10-12H,2-9,13-15H2,1H3InChIKey
DWIFLESKCPBYSH-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)1(12345678octahydro9Hcarbazol9yl)ethanone
2((5(13benzodioxol5yloxymethyl)4methyl124triazol3yl)sulfanyl)1(12345678octahydrocarbazol9yl)ethanone
CN1C(=NN=C1SCC(=O)N2C3=C(CCCC3)C4=C2CCCC4)COC5=CC6=C(C=C5)OCO6
InChI=1SC25H28N4O4Sc12823(13311610112122(1216)33153221)262725(28)341424(30)2919842617(19)18735920(18)29h1012H291315H21H3
MFCD06618696
ZINC000012427822
ZINC12427822
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