Vitas-M small molecule compound
ethyl 2-{[(6-chloro-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK910836
SMILES CCOC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)sc2c1CCCC2
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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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c1-2-27-21(26)18-12-5-3-4-6-17(12)29-20(18)23-19(25)16-10-14(24)13-9-11(22)7-8-15(13)28-16/h7-10H,2-6H2,1H3,(H,23,25)InChIKey
HMSJUGVOWYXCHM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl
ethyl2(((6chloro4oxo4Hchromen2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((6chloro4oxochromene2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H18ClNO5Sc122721(26)1812534617(12)2920(18)2319(25)161014(24)13911(22)7815(13)2816h710H26H21H3(H2325)
MFCD07425746
ZINC000008869627
ZINC08869627
ZINC8869627
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