Vitas-M small molecule compound
6-chloro-7-hydroxy-4-methyl-8-{[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)amino]methyl}-2H-chromen-2-one
Catalog ID
STL151533
SMILES O=c1cc(C)c2c(o1)c(CNC1(C)CCS(=O)(=O)C1)c(c(c2)Cl)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 C16H18ClNO5S MW 371.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClNO5S/c1-9-5-13(19)23-15-10(9)6-12(17)14(20)11(15)7-18-16(2)3-4-24(21,22)8-16/h5-6,18,20H,3-4,7-8H2,1-2H3InChIKey
QCQPPTWLBLGWSH-UHFFFAOYSA-NSynonyms
6chloro7hydroxy4methyl8(((3methyl11dioxidotetrahydrothiophen3yl)amino)methyl)2Hchromen2one
6chloro7hydroxy4methyl8(((3methyl11dioxidotetrahydrothiophen3yl)amino)methyl)2Hchromen2onehydrochloride
6chloro7hydroxy4methyl8(((3methyl11dioxothiolan3yl)amino)methyl)chromen2one
CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3(CCS(=O)(=O)C3)C
InChI=1SC16H18ClNO5Sc19513(19)231510(9)612(17)14(20)11(15)71816(2)3424(2122)816h561820H3478H212H3
MFCD09846570
O=c1cc(C)c2c(o1)c(CNC1(C)CCS(=O)(=O)C1)c(c(c2)Cl)OCl
ZINC000020648412
ZINC000020648414
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