Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK867477
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)C)/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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-4-26-21(25)18-16-8-5-12(2)9-17(16)28-20(18)23-19(24)14(11-22)10-15-7-6-13(3)27-15/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,23,24)/b14-10+InChIKey
SVFRXGLUGZTZMI-GXDHUFHOSA-NSynonyms
489425-37-8(E)ethyl2(2cyano3(5methylfuran2yl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
489425378
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(O3)C)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)C)C#N)sc2c1CCC(C2)C
ethyl2(((2E)2cyano3(5methylfuran2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(5methylfuran2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22N2O4Sc142621(25)18168512(2)917(16)2820(18)2319(24)14(1122)10157613(3)2715h671012H4589H213H3(H2324)b1410+
MFCD03297034
ZINC000001252086
ZINC000001252088
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