Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK952433
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-27-16-9-8-13(11-17(16)28-2)10-14(12-23)20(25)24-21-19(22(26)29-3)15-6-4-5-7-18(15)30-21/h8-11H,4-7H2,1-3H3,(H,24,25)/b14-10+InChIKey
GMTCAZIFJLFPQD-GXDHUFHOSA-NSynonyms
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC
InChI=1SC22H22N2O5Sc127169813(1117(16)282)1014(1223)20(25)242119(22(26)293)15645718(15)3021h811H47H213H3(H2425)b1410+
methyl2(((2E)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02328489
N#CC(=Cc1ccc(c(c1)OC)OC)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000012275958
ZINC12275958
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