Vitas-M small molecule compound
methyl 2-({methyl[(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]carbamothioyl}amino)benzoate
Catalog ID
STK643466
SMILES COC(=O)c1ccccc1NC(=S)N(Cc1cc2cccc3c2n(c1=O)CC3)C
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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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-24(22(29)23-18-9-4-3-8-17(18)21(27)28-2)13-16-12-15-7-5-6-14-10-11-25(19(14)15)20(16)26/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)InChIKey
IBXXDAHBGZJSGE-UHFFFAOYSA-NSynonyms
951985-18-5951985185
CN(CC1=CC2=C3C(=CC=C2)CCN3C1=O)C(=S)NC4=CC=CC=C4C(=O)OC
InChI=1SC22H21N3O3Sc124(22(29)2318943817(18)21(27)282)1316121575614101125(19(14)15)20(16)26h3912H101113H212H3(H2329)
methyl2((methyl((4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)methyl)carbamothioyl)amino)benzoate
methyl2(3methyl3((4oxo24dihydro1Hpyrrolo(321ij)quinolin5yl)methyl)thioureido)benzoate
MFCD09851486
ZINC000013690087
ZINC13690087
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