Vitas-M small molecule compound
3-[(cyclopropylcarbamothioyl)amino]-4-methylbenzoic acid
Catalog ID
STK486844
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC1CC1
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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/c1-7-2-3-8(11(15)16)6-10(7)14-12(17)13-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H,15,16)(H2,13,14,17)InChIKey
MLLYWZVESXERPV-UHFFFAOYSA-NSynonyms
3(((CYCLOPROPYLAMINO)THIOXOMETHYL)AMINO)4METHYLBENZOICACID
3((cyclopropylcarbamothioyl)amino)4methylbenzoicacid
3(cyclopropylcarbamothioylamino)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2CC2
InChI=1SC12H14N2O2Sc17238(11(15)16)610(7)1412(17)139459h2369H45H21H3(H1516)(H2131417)
MFCD06163048
ZINC000013330396
ZINC13330396
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