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-[1-(2-methoxyethyl)-1H-indol-3-yl]ethanone
Catalog ID
STL406034
SMILES COCCn1cc(c2c1cccc2)C(=O)CSc1nnc(n1C)c1ccc2c(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 C25H26N4O4S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S/c1-28-24(17-8-9-22-23(14-17)33-12-5-11-32-22)26-27-25(28)34-16-21(30)19-15-29(10-13-31-2)20-7-4-3-6-18(19)20/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3InChIKey
AWGLUPNRDFDUEN-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)1(1(2methoxyethyl)indol3yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)1Hindol3yl)ethanone
CN1C(=NN=C1SCC(=O)C2=CN(C3=CC=CC=C32)CCOC)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H26N4O4Sc12824(17892223(1417)33125113222)262725(28)341621(30)191529(1013312)20743618(19)20h34691415H5101316H212H3
MFCD27220634
ZINC000021723219
ZINC21723219
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