Vitas-M small molecule compound
methyl {6-chloro-9-[3-(1H-imidazol-1-yl)propyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate
Catalog ID
STL233175
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c1c2CN(CCCn2cncc2)CO1)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 C21H22ClN3O5 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O5/c1-13-14-8-17(22)20-16(19(14)30-21(27)15(13)9-18(26)28-2)10-25(12-29-20)6-3-5-24-7-4-23-11-24/h4,7-8,11H,3,5-6,9-10,12H2,1-2H3InChIKey
NGYHOOIKFZUCHN-UHFFFAOYSA-NSynonyms
929868-04-2929868042
CC1=C(C(=O)OC2=C3CN(COC3=C(C=C12)Cl)CCCN4C=CN=C4)CC(=O)OC
InChI=1SC21H22ClN3O5c11314817(22)2016(19(14)3021(27)15(13)918(26)282)1025(122920)6352474231124h47811H35691012H212H3
methyl(6chloro9(3(1Himidazol1yl)propyl)4methyl2oxo910dihydro2H8Hchromeno(87e)(13)oxazin3yl)acetate
methyl2(6chloro9(3imidazol1ylpropyl)4methyl2oxo810dihydropyrano(23f)(13)benzoxazin3yl)acetate
methyl2(9(3(1Himidazol1yl)propyl)6chloro4methyl2oxo28910tetrahydrochromeno(87e)(13)oxazin3yl)acetate
MFCD09847684
ZINC000039950524
ZINC39950524
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