Vitas-M small molecule compound
3-{4-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide
Catalog ID
STL346130
SMILES CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1/C=C(/C(=O)N1CCOCC1)\C#N)c1ccccc1)CC
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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 C27H29N5O4S MW 519.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4S/c1-3-31(4-2)37(34,35)25-12-8-9-21(18-25)26-23(20-32(29-26)24-10-6-5-7-11-24)17-22(19-28)27(33)30-13-15-36-16-14-30/h5-12,17-18,20H,3-4,13-16H2,1-2H3/b22-17+InChIKey
LVDCILLHUJJNIR-OQKWZONESA-NSynonyms
1001785-84-7(E)3(4(2cyano3morpholino3oxoprop1en1yl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
1001785847
3(4((1E)2cyano3(morpholin4yl)3oxoprop1en1yl)1phenyl1Hpyrazol3yl)NNdiethylbenzenesulfonamide
3(4((E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)1PHENYLPYRAZOL3YL)NNDIETHYLBENZENESULFONAMIDE
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4
CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1C=C(C(=O)N1CCOCC1)C#N)c1ccccc1)CC
InChI=1SC27H29N5O4Sc1331(42)37(3435)25128921(1825)2623(2032(2926)24106571124)1722(1928)27(33)30131536161430h512171820H341316H212H3b2217+
MFCD04195351
ZINC000002433116
ZINC02433116
ZINC2433116
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