Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{4-[(cyclohexylcarbonyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}-5-phenylthiophene-3-carboxylate
Catalog ID
STK472615
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C1CCCCC1)/C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
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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 C30H28N2O6S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O6S/c1-36-25-16-19(13-14-24(25)38-29(34)21-11-7-4-8-12-21)15-22(18-31)27(33)32-28-23(30(35)37-2)17-26(39-28)20-9-5-3-6-10-20/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3,(H,32,33)/b22-15+InChIKey
DDOIYIBWQPVDBI-PXLXIMEGSA-NSynonyms
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4CCCCC4
InChI=1SC30H28N2O6Sc136251619(131424(25)3829(34)21117481221)1522(1831)27(33)322823(30(35)372)1726(3928)2095361020h356910131721H4781112H212H3(H3233)b2215+
methyl2(((2E)2cyano3(4((cyclohexylcarbonyl)oxy)3methoxyphenyl)prop2enoyl)amino)5phenylthiophene3carboxylate
methyl2(((E)2cyano3(4(cyclohexanecarbonyloxy)3methoxyphenyl)prop2enoyl)amino)5phenylthiophene3carboxylate
METHYL2((2E)2CYANO3(4CYCLOHEXYLCARBONYLOXY3METHOXYPHENYL)PROP2ENOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD07093700
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C1CCCCC1)C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
ZINC000097965799
ZINC97965799
Check stock
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Check stock on Vitas-MAvailable files
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