Vitas-M small molecule compound
methyl 2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK781100
SMILES COC(=O)C1=C(N)OC2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CCC2
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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 C23H20N2O4S3 MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S3/c1-28-22(27)20-19(18-14(26)6-4-7-15(18)29-21(20)24)17-9-12(10-30-17)11-31-23-25-13-5-2-3-8-16(13)32-23/h2-3,5,8-10,19H,4,6-7,11,24H2,1H3InChIKey
IHMNWROGEAQZJI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CSC4=NC5=CC=CC=C5S4)C(=O)CCC2)N
InChI=1SC23H20N2O4S3c12822(27)2019(1814(26)64715(18)2921(20)24)17912(103017)1131232513523816(13)3223h23581019H4671124H21H3
methyl2amino4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)5oxo5678tetrahydro4Hchromene3carboxylate
methyl2amino4(4(13benzothiazol2ylsulfanylmethyl)thiophen2yl)5oxo4678tetrahydrochromene3carboxylate
MFCD06014319
ZINC000012417462
ZINC000012417463
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