Vitas-M small molecule compound
methyl N-{methyl[(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]carbamothioyl}methioninate
Catalog ID
STL236352
SMILES CN(C(=S)NC(C(=O)OC)CCSC)Cc1cc2cccc3c2n(c1=O)CC3
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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 C20H25N3O3S2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S2/c1-22(20(27)21-16(8-10-28-3)19(25)26-2)12-15-11-14-6-4-5-13-7-9-23(17(13)14)18(15)24/h4-6,11,16H,7-10,12H2,1-3H3,(H,21,27)InChIKey
RGXWJRNRPNLVHP-UHFFFAOYSA-NSynonyms
(S)methyl2(3methyl3((4oxo24dihydro1Hpyrrolo(321ij)quinolin5yl)methyl)thioureido)4(methylthio)butanoate
CN(C(=S)N(C@H)(C(=O)OC)CCSC)Cc1cc2cccc3c2n(c1=O)CC3
CN(CC1=CC2=C3C(=CC=C2)CCN3C1=O)C(=S)NC(CCSC)C(=O)OC
InChI=1SC20H25N3O3S2c122(20(27)2116(810283)19(25)262)12151114645137923(17(13)14)18(15)24h461116H71012H213H3(H2127)
methylN(methyl((4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)methyl)carbamothioyl)methioninate
MFCD24858630
ZINC000013693061
ZINC000080356658
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