Vitas-M small molecule compound
4-{[(prop-2-en-1-ylcarbamothioyl)amino]methyl}benzoic acid
Catalog ID
STL178627
SMILES C=CCNC(=S)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 C12H14N2O2S MW 250.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O2S/c1-2-7-13-12(17)14-8-9-3-5-10(6-4-9)11(15)16/h2-6H,1,7-8H2,(H,15,16)(H2,13,14,17)InChIKey
HJGBBYAWFBFFIK-UHFFFAOYSA-NSynonyms
401584-43-84(((prop2en1ylcarbamothioyl)amino)methyl)benzoicacid
4((PROP2ENYLCARBAMOTHIOYLAMINO)METHYL)BENZOICACID
401584438
C=CCNC(=S)NCC1=CC=C(C=C1)C(=O)O
InChI=1SC12H14N2O2Sc1271312(17)14893510(649)11(15)16h26H178H2(H1516)(H2131417)
MFCD03550791
ZINC000002779029
ZINC2779029
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