Vitas-M small molecule compound
4-({[(4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl]amino}methyl)benzoic acid
Catalog ID
STK461261
SMILES S=C(Nc1ccc2c(c1)oc(=O)cc2C)NCc1ccc(cc1)C(=O)O
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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 C19H16N2O4S MW 368.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O4S/c1-11-8-17(22)25-16-9-14(6-7-15(11)16)21-19(26)20-10-12-2-4-13(5-3-12)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H2,20,21,26)InChIKey
PHRBRAWPBBIZMF-UHFFFAOYSA-NSynonyms
4(((((4METHYL2OXOCHROMEN7YL)AMINO)THIOXOMETHYL)AMINO)METHYL)BENZOICACID
4((((4methyl2oxo2Hchromen7yl)carbamothioyl)amino)methyl)benzoicacid
4(((4METHYL2OXOCHROMEN7YL)CARBAMOTHIOYLAMINO)METHYL)BENZOICACID
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O
InChI=1SC19H16N2O4Sc111817(22)2516914(6715(11)16)2119(26)2010122413(5312)18(23)24h29H10H21H3(H2324)(H2202126)
MFCD04137020
ZINC000002858000
ZINC2858000
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