Vitas-M small molecule compound
methyl 3-chloro-6-({[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Catalog ID
STK457953
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)NCCC1=CCCCC1
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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 C19H21ClN2O2S2 MW 408.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O2S2/c1-24-18(23)17-16(20)14-8-7-13(11-15(14)26-17)22-19(25)21-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,21,22,25)InChIKey
YSEWAEYHIQBOHR-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCC3=CCCCC3)Cl
InChI=1SC19H21ClN2O2S2c12418(23)1716(20)148713(1115(14)2617)2219(25)21109125324612h57811H246910H21H3(H2212225)
METHYL3CHLORO6((((2CYCLOHEX1ENYLETHYL)AMINO)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6(((2(cyclohex1en1yl)ethyl)carbamothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6(2(CYCLOHEXEN1YL)ETHYLCARBAMOTHIOYLAMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04137051
ZINC000002858964
ZINC02858964
ZINC2858964
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