Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949491
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCCC2
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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 C21H19N3O5S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5S/c1-2-29-21(26)18-16-5-3-4-6-17(16)30-20(18)23-19(25)14(12-22)11-13-7-9-15(10-8-13)24(27)28/h7-11H,2-6H2,1H3,(H,23,25)/b14-11+InChIKey
DNCVCSBVOXTCML-SDNWHVSQSA-NSynonyms
305375-03-5305375035
CCOC(=O)C1=C(SC2=C1CCCC2)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)sc2c1CCCC2
ethyl2(((2E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H19N3O5Sc122921(26)1816534617(16)3020(18)2319(25)14(1222)11137915(10813)24(27)28h711H26H21H3(H2325)b1411+
MFCD01918442
ZINC000001774092
ZINC01774092
ZINC1774092
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