Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyanoprop-2-enamide
Catalog ID
STL019245
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/C(=O)Nc1ncc(s1)Cc1ccccc1
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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 C28H23N3O3S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3S/c1-33-26-16-22(12-13-25(26)34-19-21-10-6-3-7-11-21)14-23(17-29)27(32)31-28-30-18-24(35-28)15-20-8-4-2-5-9-20/h2-14,16,18H,15,19H2,1H3,(H,30,31,32)/b23-14+InChIKey
QPABRHHDWDOINI-OEAKJJBVSA-NSynonyms
(2E)2CYANO3(3METHOXY4(PHENYLMETHOXY)PHENYL)N(5BENZYL(13THIAZOL2YL))PROP2ENAMIDE
(2E)3(4(benzyloxy)3methoxyphenyl)N(5benzyl13thiazol2yl)2cyanoprop2enamide
(E)N(5benzyl13thiazol2yl)2cyano3(3methoxy4phenylmethoxyphenyl)prop2enamide
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI=1SC28H23N3O3Sc133261622(121325(26)341921106371121)1423(1729)27(32)3128301824(3528)15208425920h2141618H1519H21H3(H303132)b2314+
MFCD02979658
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)C(=O)Nc1ncc(s1)Cc1ccccc1
ZINC000008763842
ZINC08763842
ZINC8763842
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