Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylcarbamothioyl)amino]-4-methylbenzoic acid
Catalog ID
STK464922
SMILES S=C(Nc1cc(ccc1C)C(=O)O)Nc1ccc2c(c1)OCO2
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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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-9-2-3-10(15(19)20)6-12(9)18-16(23)17-11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H,19,20)(H2,17,18,23)InChIKey
VWHZCVWPMXZLMQ-UHFFFAOYSA-NSynonyms
3(((2HBENZO(D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)AMINO)4METHYLBENZOICACID
3((13benzodioxol5ylcarbamothioyl)amino)4methylbenzoicacid
3(13benzodioxol5ylcarbamothioylamino)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC3=C(C=C2)OCO3
InChI=1SC16H14N2O4Sc192310(15(19)20)612(9)1816(23)1711451314(711)2282113h27H8H21H3(H1920)(H2171823)
MFCD06117605
ZINC000017067673
ZINC17067673
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