Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK474100
SMILES N#C/C(=C\c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)/C(=O)Nc1sccc1C(=O)OC(C)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 C23H21N5O6S MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6S/c1-14(2)34-23(30)19-6-7-35-22(19)26-21(29)16(10-24)8-15-4-5-20(33-3)17(9-15)12-27-13-18(11-25-27)28(31)32/h4-9,11,13-14H,12H2,1-3H3,(H,26,29)/b16-8+InChIKey
BADUFIWHZWOOIO-LZYBPNLTSA-NSynonyms
CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)(N+)(=O)(O))C#N
InChI=1SC23H21N5O6Sc114(2)3423(30)19673522(19)2621(29)16(1024)8154520(333)17(915)12271318(112527)28(31)32h49111314H12H213H3(H2629)b168+
METHYLETHYL2((2E)2CYANO3(4METHOXY3((4NITROPYRAZOLYL)METHYL)PHENYL)PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093354
N#CC(=Cc1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)Nc1sccc1C(=O)OC(C)C
propan2yl2(((2E)2cyano3(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)prop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)2cyano3(4methoxy3((4nitropyrazol1yl)methyl)phenyl)prop2enoyl)amino)thiophene3carboxylate
ZINC000020549847
ZINC20549847
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