Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethanone
Catalog ID
STL406036
SMILES Cn1c(SCC(=O)c2c(C)[nH]c3c2cccc3)nnc1c1ccc2c(c1)OCCCO2
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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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-14-21(16-6-3-4-7-17(16)24-14)18(28)13-31-23-26-25-22(27(23)2)15-8-9-19-20(12-15)30-11-5-10-29-19/h3-4,6-9,12,24H,5,10-11,13H2,1-2H3InChIKey
KMJPOPPEQWCOHT-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)1(2methyl1Hindol3yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)1(2methyl1Hindol3yl)ethanone
CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3C)C4=CC5=C(C=C4)OCCCO5
Cn1c(SCC(=O)c2c(C)(nH)c3c2cccc3)nnc1c1ccc2c(c1)OCCCO2
InChI=1SC23H22N4O3Sc11421(16634717(16)2414)18(28)133123262522(27(23)2)15891920(1215)30115102919h34691224H5101113H212H3
MFCD27220665
ZINC000021723284
ZINC21723284
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