Vitas-M small molecule compound
ethyl 3-(7-hydroxy-4-methyl-8-{[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)amino]methyl}-2-oxo-2H-chromen-3-yl)propanoate
Catalog ID
STK618124
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2CNC1(C)CCS(=O)(=O)C1)O
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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 C21H27NO7S MW 437.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO7S/c1-4-28-18(24)8-6-15-13(2)14-5-7-17(23)16(19(14)29-20(15)25)11-22-21(3)9-10-30(26,27)12-21/h5,7,22-23H,4,6,8-12H2,1-3H3InChIKey
QWOLDCZHDDATKY-UHFFFAOYSA-NSynonyms
CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNC3(CCS(=O)(=O)C3)C)OC1=O)C
CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2CNC1(C)CCS(=O)(=O)C1)OCl
ethyl3(7hydroxy4methyl8(((3methyl11dioxidotetrahydrothiophen3yl)amino)methyl)2oxo2Hchromen3yl)propanoate
ethyl3(7hydroxy4methyl8(((3methyl11dioxidotetrahydrothiophen3yl)amino)methyl)2oxo2Hchromen3yl)propanoatehydrochloride
ethyl3(7hydroxy4methyl8(((3methyl11dioxothiolan3yl)amino)methyl)2oxochromen3yl)propanoate
InChI=1SC21H27NO7Sc142818(24)861513(2)145717(23)16(19(14)2920(15)25)112221(3)91030(2627)1221h572223H46812H213H3
MFCD09845503
ZINC000009530465
ZINC000009530466
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