Vitas-M small molecule compound
(2E)-N-{[2-(2,3-dichlorophenoxy)ethyl]carbamothioyl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Catalog ID
STL381980
SMILES COc1cc(/C=C/C(=O)NC(=S)NCCOc2cccc(c2Cl)Cl)ccc1OC
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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 C20H20Cl2N2O4S MW 455.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N2O4S/c1-26-15-8-6-13(12-17(15)27-2)7-9-18(25)24-20(29)23-10-11-28-16-5-3-4-14(21)19(16)22/h3-9,12H,10-11H2,1-2H3,(H2,23,24,25,29)/b9-7+InChIKey
MYAJVAIHJLOTKE-VQHVLOKHSA-NSynonyms
(2E)N((2(23dichlorophenoxy)ethyl)carbamothioyl)3(34dimethoxyphenyl)prop2enamide
(E)N(2(23DICHLOROPHENOXY)ETHYLCARBAMOTHIOYL)3(34DIMETHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NCCOC2=C(C(=CC=C2)Cl)Cl)OC
COc1cc(C=CC(=O)NC(=S)NCCOc2cccc(c2Cl)Cl)ccc1OC
InChI=1SC20H20Cl2N2O4Sc126158613(1217(15)272)7918(25)2420(29)231011281653414(21)19(16)22h3912H1011H212H3(H223242529)b97+
MFCD03719850
ZINC000002826536
ZINC02826536
ZINC2826536
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