Vitas-M small molecule compound
methyl (2E)-2-{[(6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL423906
SMILES COC(=O)c1s/c(=N/C(=O)C2CSC3N2C(=O)c2c3ccc(c2OC)OC)/[nH]c1C
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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 C19H19N3O6S2 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6S2/c1-8-14(18(25)28-4)30-19(20-8)21-15(23)10-7-29-17-9-5-6-11(26-2)13(27-3)12(9)16(24)22(10)17/h5-6,10,17H,7H2,1-4H3,(H,20,21,23)InChIKey
WXNUFWVGTAXAGK-UHFFFAOYSA-NSynonyms
1676052-49-51676052495
CC1=C(SC(=N1)NC(=O)C2CSC3N2C(=O)C4=C3C=CC(=C4OC)OC)C(=O)OC
COC(=O)c1sc(=NC(=O)C2CSC3N2C(=O)c2c3ccc(c2OC)OC)(nH)c1C
InChI=1SC19H19N3O6S2c1814(18(25)284)3019(208)2115(23)107291795611(262)13(273)12(9)16(24)22(10)17h561017H7H214H3(H202123)
methyl(2E)2(((67dimethoxy5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
methyl2((67dimethoxy5oxo39bdihydro2H(13)thiazolo(23a)isoindole3carbonyl)amino)4methyl13thiazole5carboxylate
MFCD30709066
ZINC000218529644
ZINC000218529887
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