Vitas-M small molecule compound
methyl 2-{[(4-butoxy-3,5-dichlorophenyl)carbonyl]amino}-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Catalog ID
STK907695
SMILES CCCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1sc(c(c1C(=O)OC)C)/C(=C/C#N)/C
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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 C22H22Cl2N2O4S MW 481.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O4S/c1-5-6-9-30-18-15(23)10-14(11-16(18)24)20(27)26-21-17(22(28)29-4)13(3)19(31-21)12(2)7-8-25/h7,10-11H,5-6,9H2,1-4H3,(H,26,27)/b12-7+InChIKey
HBMVFMOFOFYSOE-KPKJPENVSA-NSynonyms
CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C(=C(S2)C(=CC#N)C)C)C(=O)OC)Cl
CCCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=CC#N)C
InChI=1SC22H22Cl2N2O4Sc1569301815(23)1014(1116(18)24)20(27)262117(22(28)294)13(3)19(3121)12(2)7825h71011H569H214H3(H2627)b127+
methyl2(((4butoxy35dichlorophenyl)carbonyl)amino)5((1E)1cyanoprop1en2yl)4methylthiophene3carboxylate
methyl2((4butoxy35dichlorobenzoyl)amino)5((E)1cyanoprop1en2yl)4methylthiophene3carboxylate
MFCD18175435
ZINC000044856907
ZINC44856907
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