Vitas-M small molecule compound

4-methyl-3-{[(3-methylbutanoyl)carbamothioyl]amino}benzoic acid

Catalog ID
STK105331
SMILES CC(CC(=O)NC(=S)Nc1cc(ccc1C)C(=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 C14H18N2O3S MW 294.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O3S/c1-8(2)6-12(17)16-14(20)15-11-7-10(13(18)19)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,18,19)(H2,15,16,17,20)
InChIKey
HWFVLTHKTGJJRM-UHFFFAOYSA-N
Synonyms

4METHYL3(((3METHYLBUTANOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHYL3(3METHYLBUTANOYLCARBAMOTHIOYLAMINO)BENZOICACID
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC(C)C
InChI=1SC14H18N2O3Sc18(2)612(17)1614(20)1511710(13(18)19)549(11)3h4578H6H213H3(H1819)(H215161720)
MFCD03244195
ZINC000000310396
ZINC310396

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Available files

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