Vitas-M small molecule compound
(2E)-2-cyano-3-[4-(heptyloxy)phenyl]-N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]prop-2-enamide
Catalog ID
STL021659
SMILES CCCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1cccc(c1)C)\C#N
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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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-3-4-5-6-7-15-33-25-13-11-22(12-14-25)17-24(19-29)27(32)31-28-30-20-26(34-28)18-23-10-8-9-21(2)16-23/h8-14,16-17,20H,3-7,15,18H2,1-2H3,(H,30,31,32)/b24-17+InChIKey
MCALZSHUXCJYAD-JJIBRWJFSA-NSynonyms
(2E)2cyano3(4(heptyloxy)phenyl)N(5(3methylbenzyl)13thiazol2yl)prop2enamide
(2E)2CYANO3(4HEPTYLOXYPHENYL)N(5((3METHYLPHENYL)METHYL)(13THIAZOL2YL))PROP2ENAMIDE
(E)2cyano3(4heptoxyphenyl)N(5((3methylphenyl)methyl)13thiazol2yl)prop2enamide
CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC(=C3)C
CCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1cccc(c1)C)C#N
InChI=1SC28H31N3O2Sc134567153325131122(121425)1724(1929)27(32)3128302026(3428)1823108921(2)1623h814161720H371518H212H3(H303132)b2417+
MFCD02979446
ZINC000100987658
ZINC100987658
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