Vitas-M small molecule compound
2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoic acid
Catalog ID
STK301437
SMILES CC(COc1cccc(c1)c1nc2ccccc2c(c1)C(=O)NC(=S)Nc1ccccc1C(=O)O)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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-17(2)16-35-19-9-7-8-18(14-19)25-15-22(20-10-3-5-12-23(20)29-25)26(32)31-28(36)30-24-13-6-4-11-21(24)27(33)34/h3-15,17H,16H2,1-2H3,(H,33,34)(H2,30,31,32,36)InChIKey
OEORQWKUUVGDEU-UHFFFAOYSA-NSynonyms
438197-17-22((((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)benzoicacid
2((2(3(2METHYLPROPOXY)PHENYL)QUINOLINE4CARBONYL)CARBAMOTHIOYLAMINO)BENZOICACID
438197172
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4C(=O)O
InChI=1SC28H25N3O4Sc117(2)16351997818(1419)251522(2010351223(20)2925)26(32)3128(36)302413641121(24)27(33)34h31517H16H212H3(H3334)(H230313236)
MFCD03073906
ZINC000002789051
ZINC2789051
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