Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Catalog ID
STK434564
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1ccc(c(c1)OCC)OCCN1CCOCC1)/C#N)C(=O)OC
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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 C27H33N3O6S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6S/c1-4-6-21-17-22(27(32)33-3)26(37-21)29-25(31)20(18-28)15-19-7-8-23(24(16-19)35-5-2)36-14-11-30-9-12-34-13-10-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,29,31)/b20-15+InChIKey
BJPYRRMTFGBBDZ-HMMYKYKNSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OCCN3CCOCC3)OCC)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1ccc(c(c1)OCC)OCCN1CCOCC1)C#N)C(=O)OC
InChI=1SC27H33N3O6Sc146211722(27(32)333)26(3721)2925(31)20(1828)15197823(24(1619)3552)3614113091234131030h781517H46914H213H3(H2931)b2015+
methyl2(((2E)2cyano3(3ethoxy4(2(morpholin4yl)ethoxy)phenyl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2(((E)2CYANO3(3ETHOXY4(2MORPHOLIN4YLETHOXY)PHENYL)PROP2ENOYL)AMINO)5PROPYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(3ETHOXY4(2MORPHOLIN4YLETHOXY)PHENYL)PROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD03942782
ZINC000020562580
ZINC20562580
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