Vitas-M small molecule compound
3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK101025
SMILES CCCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)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 C18H18N2O4S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S/c1-2-9-24-15-8-4-5-12(11-15)16(21)20-18(25)19-14-7-3-6-13(10-14)17(22)23/h3-8,10-11H,2,9H2,1H3,(H,22,23)(H2,19,20,21,25)InChIKey
KBQNFHALYFKBHZ-UHFFFAOYSA-NSynonyms
3((((3PROPOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((3PROPOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O
InChI=1SC18H18N2O4Sc129241584512(1115)16(21)2018(25)191473613(1014)17(22)23h381011H29H21H3(H2223)(H219202125)
MFCD03243886
ZINC000002997695
ZINC2997695
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