Vitas-M small molecule compound
4-methyl-3-[({[4-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK184365
SMILES O=C(NC(=S)Nc1cc(ccc1C)C(=O)O)COc1ccc(cc1)C(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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-12(2)14-6-8-16(9-7-14)26-11-18(23)22-20(27)21-17-10-15(19(24)25)5-4-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)InChIKey
AHYSXTMXIJVAMF-UHFFFAOYSA-NSynonyms
462604-88-2462604882
4METHYL3((((4(PROPAN2YL)PHENOXY)ACETYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHYL3((2(4PROPAN2YLPHENOXY)ACETYL)CARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID4METHYL3(((((4(1METHYLETHYL)PHENOXY)ACETYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)C
InChI=1SC20H22N2O4Sc112(2)146816(9714)261118(23)2220(27)21171015(19(24)25)5413(17)3h41012H11H213H3(H2425)(H221222327)
MFCD03243130
ZINC000001157997
ZINC1157997
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