Vitas-M small molecule compound

ethyl 2-({[1-(1,3-benzodioxol-5-yl)ethyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate

Catalog ID
STK456867
SMILES CCOC(=O)c1cc(sc1NC(=S)NC(c1ccc2c(c1)OCO2)C)c1ccccc1

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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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c1-3-27-22(26)17-12-20(15-7-5-4-6-8-15)31-21(17)25-23(30)24-14(2)16-9-10-18-19(11-16)29-13-28-18/h4-12,14H,3,13H2,1-2H3,(H2,24,25,30)
InChIKey
RCYYVFRAJRTPEW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3=CC4=C(C=C3)OCO4
ETHYL2((((1R)1(13BENZODIOXOL5YL)ETHYL)CARBAMOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((((1S)1(13BENZODIOXOL5YL)ETHYL)CARBAMOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((((2HBENZO(34D)13DIOXOLEN5YLETHYL)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((1(13benzodioxol5yl)ethyl)carbamothioyl)amino)5phenylthiophene3carboxylate
ETHYL2(1(13BENZODIOXOL5YL)ETHYLCARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H22N2O4S2c132722(26)171220(157546815)3121(17)2523(30)2414(2)169101819(1116)29132818h41214H313H212H3(H2242530)
MFCD04137540
ZINC000002856743
ZINC000002856744

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.