Vitas-M small molecule compound
methyl [6-chloro-4-methyl-9-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate
Catalog ID
STL234573
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c1c2CN(CO1)C1(C)CCS(=O)(=O)C1)Cl
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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 C20H22ClNO7S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO7S/c1-11-12-6-15(21)18-14(17(12)29-19(24)13(11)7-16(23)27-3)8-22(10-28-18)20(2)4-5-30(25,26)9-20/h6H,4-5,7-10H2,1-3H3InChIKey
BJXOXQRAEWDZSQ-UHFFFAOYSA-NSynonyms
921084-00-6921084006
CC1=C(C(=O)OC2=C3CN(COC3=C(C=C12)Cl)C4(CCS(=O)(=O)C4)C)CC(=O)OC
InChI=1SC20H22ClNO7Sc11112615(21)1814(17(12)2919(24)13(11)716(23)273)822(102818)20(2)4530(2526)920h6H45710H213H3
methyl(6chloro4methyl9(3methyl11dioxidotetrahydrothiophen3yl)2oxo910dihydro2H8Hchromeno(87e)(13)oxazin3yl)acetate
methyl2(6chloro4methyl9(3methyl11dioxidotetrahydrothiophen3yl)2oxo28910tetrahydrochromeno(87e)(13)oxazin3yl)acetate
methyl2(6chloro4methyl9(3methyl11dioxothiolan3yl)2oxo810dihydropyrano(23f)(13)benzoxazin3yl)acetate
MFCD08748809
ZINC000061966217
ZINC000061966219
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