Vitas-M small molecule compound

methyl 4-carbamoyl-5-({[2-(5-chlorothiophen-2-yl)quinolin-4-yl]carbonyl}amino)-3-methylthiophene-2-carboxylate

Catalog ID
STK427391
SMILES COC(=O)c1sc(c(c1C)C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1ccc(s1)Cl

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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 C22H16ClN3O4S2 MW 485.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S2/c1-10-17(19(24)27)21(32-18(10)22(29)30-2)26-20(28)12-9-14(15-7-8-16(23)31-15)25-13-6-4-3-5-11(12)13/h3-9H,1-2H3,(H2,24,27)(H,26,28)
InChIKey
HUCMXRPHZGGEPE-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C(=O)OC
InChI=1SC22H16ClN3O4S2c11017(19(24)27)21(3218(10)22(29)302)2620(28)12914(157816(23)3115)2513643511(12)13h39H12H3(H22427)(H2628)
methyl4carbamoyl5(((2(5chlorothiophen2yl)quinolin4yl)carbonyl)amino)3methylthiophene2carboxylate
METHYL4CARBAMOYL5((2(5CHLORO(2THIENYL))(4QUINOLYL))CARBONYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL4CARBAMOYL5((2(5CHLOROTHIOPHEN2YL)QUINOLINE4CARBONYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
MFCD01343590
ZINC000002737703
ZINC02737703
ZINC2737703

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Available files

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