Vitas-M small molecule compound
methyl 2-{[(2-{[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK457427
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCO3)sc(c1C)C(=O)N(C)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 C28H25N5O6S2 MW 591.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O6S2/c1-14-22(27(36)37-4)25(41-23(14)26(35)33(2)3)30-28(40)32-31-24(34)17-12-19(29-18-8-6-5-7-16(17)18)15-9-10-20-21(11-15)39-13-38-20/h5-12H,13H2,1-4H3,(H,31,34)(H2,30,32,40)InChIKey
COKJNSGWIXRXAS-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N(C)C
InChI=1SC28H25N5O6S2c11422(27(36)374)25(4123(14)26(35)33(2)3)3028(40)323124(34)171219(2918865716(17)18)159102021(1115)39133820h512H13H214H3(H3134)(H2303240)
METHYL2(((((2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl2(((2((2(13benzodioxol5yl)quinolin4yl)carbonyl)hydrazinyl)carbonothioyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((2(13BENZODIOXOL5YL)QUINOLINE4CARBONYL)AMINO)CARBAMOTHIOYLAMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04266801
ZINC000002856843
ZINC2856843
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.