Vitas-M small molecule compound
(2E)-2-cyano-3-[4-(heptyloxy)phenyl]-N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]prop-2-enamide
Catalog ID
STL021671
SMILES CCCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)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/c1-3-4-5-6-7-16-33-25-14-12-22(13-15-25)17-24(19-29)27(32)31-28-30-20-26(34-28)18-23-10-8-21(2)9-11-23/h8-15,17,20H,3-7,16,18H2,1-2H3,(H,30,31,32)/b24-17+InChIKey
KNKVXHCMLJYKCY-JJIBRWJFSA-NSynonyms
(2E)2cyano3(4(heptyloxy)phenyl)N(5(4methylbenzyl)13thiazol2yl)prop2enamide
(2E)2CYANO3(4HEPTYLOXYPHENYL)N(5((4METHYLPHENYL)METHYL)(13THIAZOL2YL))PROP2ENAMIDE
(E)2cyano3(4heptoxyphenyl)N(5((4methylphenyl)methyl)13thiazol2yl)prop2enamide
CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)C
CCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccc(cc1)C)C#N
InChI=1SC28H31N3O2Sc134567163325141222(131525)1724(1929)27(32)3128302026(3428)182310821(2)91123h8151720H371618H212H3(H303132)b2417+
MFCD02979474
ZINC000100987676
ZINC100987676
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