Vitas-M small molecule compound
2-{methyl[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoic acid
Catalog ID
STL174846
SMILES CC(COc1cccc(c1)c1nc2ccccc2c(c1)C(=O)NC(=S)N(c1ccccc1C(=O)O)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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-18(2)17-36-20-10-8-9-19(15-20)25-16-23(21-11-4-6-13-24(21)30-25)27(33)31-29(37)32(3)26-14-7-5-12-22(26)28(34)35/h4-16,18H,17H2,1-3H3,(H,34,35)(H,31,33,37)InChIKey
JDHOLKVQVKCESW-UHFFFAOYSA-NSynonyms
438195-41-62(((((2(3ISOBUTOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)CARBOTHIOYL)(METHYL)AMINO)BENZOICACID
2(methyl(((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)benzoicacid
2(METHYL((2(3(2METHYLPROPOXY)PHENYL)QUINOLINE4CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
438195416
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(C)C4=CC=CC=C4C(=O)O
InChI=1SC29H27N3O4Sc118(2)173620108919(1520)251623(2111461324(21)3025)27(33)3129(37)32(3)2614751222(26)28(34)35h41618H17H213H3(H3435)(H313337)
MFCD03073834
ZINC000000647891
ZINC647891
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