Vitas-M small molecule compound

methyl 2-{[(2-{[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK456635
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2cc(nc3c2cccc3)c2ccc(o2)C)sc2c1CCC2

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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 C25H22N4O4S2 MW 506.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S2/c1-13-10-11-19(33-13)18-12-16(14-6-3-4-8-17(14)26-18)22(30)28-29-25(34)27-23-21(24(31)32-2)15-7-5-9-20(15)35-23/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,28,30)(H2,27,29,34)
InChIKey
OHNZNNUJYSCJRQ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC
InChI=1SC25H22N4O4S2c113101119(3313)181216(14634817(14)2618)22(30)282925(34)272321(24(31)322)1575920(15)3523h34681012H579H212H3(H2830)(H2272934)
METHYL2(((((2(5METHYL(2FURYL))(4QUINOLYL))CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((2((2(5methylfuran2yl)quinolin4yl)carbonyl)hydrazinyl)carbonothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((2((2(5METHYLFURAN2YL)QUINOLIN4YL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(((2(5METHYLFURAN2YL)QUINOLINE4CARBONYL)AMINO)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD05077262
ZINC000002854613
ZINC02854613
ZINC2854613

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.