Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-methyl-1H-indol-3-yl)ethanone
Catalog ID
STK297306
SMILES CC(n1c(SCC(=O)c2cn(c3c2cccc3)C)nnc1COc1c(C)cccc1C)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 C25H28N4O2S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S/c1-16(2)29-23(14-31-24-17(3)9-8-10-18(24)4)26-27-25(29)32-15-22(30)20-13-28(5)21-12-7-6-11-19(20)21/h6-13,16H,14-15H2,1-5H3InChIKey
OXJIFJZKTXUCPD-UHFFFAOYSA-NSynonyms
2((5((26dimethylphenoxy)methyl)4(propan2yl)4H124triazol3yl)sulfanyl)1(1methyl1Hindol3yl)ethanone
2((5((26dimethylphenoxy)methyl)4propan2yl124triazol3yl)sulfanyl)1(1methylindol3yl)ethanone
2(5(26DIMETHYLPHENOXYMETHYL)4ISOPROPYL4H(124)TRIAZOL3YLSULFANYL)1(1METHYL1HINDOL3YL)ETHANONE
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C(C)C)SCC(=O)C3=CN(C4=CC=CC=C43)C
InChI=1SC25H28N4O2Sc116(2)2923(14312417(3)981018(24)4)262725(29)321522(30)201328(5)2112761119(20)21h61316H1415H215H3
MFCD09960893
ZINC000013956181
ZINC13956181
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