Vitas-M small molecule compound

methyl 2-{[(6-chloro-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK912175
SMILES COC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)sc2c1CCC2

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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 C19H14ClNO5S MW 403.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClNO5S/c1-25-19(24)16-10-3-2-4-15(10)27-18(16)21-17(23)14-8-12(22)11-7-9(20)5-6-13(11)26-14/h5-8H,2-4H2,1H3,(H,21,23)
InChIKey
AXKMQRPIYXLJQA-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl
InChI=1SC19H14ClNO5Sc12519(24)161032415(10)2718(16)2117(23)14812(22)1179(20)5613(11)2614h58H24H21H3(H2123)
methyl2(((6chloro4oxo4Hchromen2yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((6chloro4oxochromene2carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD07427093
ZINC000006811426
ZINC06811426
ZINC6811426

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.