Vitas-M small molecule compound

3-[({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid

Catalog ID
STK110220
SMILES O=C(NC(=S)Nc1cccc(c1)C(=O)O)COc1cc(C)ccc1C(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)16-8-7-13(3)9-17(16)26-11-18(23)22-20(27)21-15-6-4-5-14(10-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
InChIKey
STZYQEAFWXWRGW-UHFFFAOYSA-N
Synonyms
531527-72-7
3((((5METHYL2(PROPAN2YL)PHENOXY)ACETYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((2(5METHYL2PROPAN2YLPHENOXY)ACETYL)CARBAMOTHIOYLAMINO)BENZOICACID
531527727
BENZOICACID3(((((5METHYL2(1METHYLETHYL)PHENOXY)ACETYL)AMINO)THIOXOMETHYL)AMINO)
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O
InChI=1SC20H22N2O4Sc112(2)168713(3)917(16)261118(23)2220(27)211564514(1015)19(24)25h41012H11H213H3(H2425)(H221222327)
MFCD03565922
ZINC000002827735
ZINC2827735

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Available files

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