Vitas-M small molecule compound
methyl N-{methyl[(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)methyl]carbamothioyl}methioninate
Catalog ID
STL232944
SMILES CN(C(=S)NC(C(=O)OC)CCSC)Cc1cc2cccc3c2n(c1=O)CCC3
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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 C21H27N3O3S2 MW 433.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S2/c1-23(21(28)22-17(9-11-29-3)20(26)27-2)13-16-12-15-7-4-6-14-8-5-10-24(18(14)15)19(16)25/h4,6-7,12,17H,5,8-11,13H2,1-3H3,(H,22,28)InChIKey
IOFMYSQRQKUCJF-UHFFFAOYSA-NSynonyms
(S)methyl2(3methyl3((3oxo3567tetrahydropyrido(321ij)quinolin2yl)methyl)thioureido)4(methylthio)butanoate
CN(C(=S)N(C@H)(C(=O)OC)CCSC)Cc1cc2cccc3c2n(c1=O)CCC3
CN(CC1=CC2=C3C(=CC=C2)CCCN3C1=O)C(=S)NC(CCSC)C(=O)OC
InChI=1SC21H27N3O3S2c123(21(28)2217(911293)20(26)272)1316121574614851024(18(14)15)19(16)25h4671217H581113H213H3(H2228)
methylN(methyl((5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)methyl)carbamothioyl)methioninate
MFCD24858318
ZINC000013718566
ZINC000080350647
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