Vitas-M small molecule compound
1-(2-methoxyphenyl)-3-{4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonyl]-1,2,3-thiadiazol-5-yl}urea
Catalog ID
STL442147
SMILES COc1ccccc1NC(=O)Nc1snnc1C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-32-17-7-3-2-5-15(17)23-22(31)24-20-19(25-26-33-20)21(30)27-10-13-9-14(12-27)16-6-4-8-18(29)28(16)11-13/h2-8,13-14H,9-12H2,1H3,(H2,23,24,31)InChIKey
JORQEADSHGXBEM-UHFFFAOYSA-NSynonyms
1(2methoxyphenyl)3(4((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)123thiadiazol5yl)urea
COC1=CC=CC=C1NC(=O)NC2=C(N=NS2)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC22H22N6O4Sc13217732515(17)2322(31)242019(25263320)21(30)271013914(1227)1664818(29)28(16)1113h281314H912H21H3(H2232431)
MFCD13806985
ZINC000033436089
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