Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL016796
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCC(C2)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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-3-30-22(27)19-17-9-4-13(2)10-18(17)31-21(19)24-20(26)15(12-23)11-14-5-7-16(8-6-14)25(28)29/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,24,26)/b15-11+InChIKey
ZRMGYWLPGWARAM-RVDMUPIBSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C#N)sc2c1CCC(C2)C
ethyl2(((2E)2cyano3(4nitrophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(4nitrophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H21N3O5Sc133022(27)19179413(2)1018(17)3121(19)2420(26)15(1223)11145716(8614)25(28)29h581113H34910H212H3(H2426)b1511+
MFCD04188386
ZINC000002670696
ZINC000002670698
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