Vitas-M small molecule compound
methyl 3-[(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)methyl]-4-methoxybenzoate
Catalog ID
STK573694
SMILES COC(=O)c1ccc(c(c1)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)OC
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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 C23H20FN3O4S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O4S/c1-30-18-7-4-13(22(29)31-2)10-14(18)12-27-17-6-5-15(24)11-16(17)19-20(27)21(28)26-8-3-9-32-23(26)25-19/h4-7,10-11H,3,8-9,12H2,1-2H3InChIKey
BNUBTHOIAVMJQO-UHFFFAOYSA-NSynonyms
898921-04-5898921045
COC1=C(C=C(C=C1)C(=O)OC)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCCSC5=N4
InChI=1SC23H20FN3O4Sc130187413(22(29)312)1014(18)1227176515(24)1116(17)1920(27)21(28)268393223(26)2519h471011H38912H212H3
methyl3((10fluoro6oxo34dihydro2H(13)thiazino(3212)pyrimido(54b)indol7(6H)yl)methyl)4methoxybenzoate
MFCD07640751
ZINC000013591700
ZINC13591700
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