Vitas-M small molecule compound
ethyl 4-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
Catalog ID
STK878488
SMILES CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-4-30-25(29)20-9-11-22(12-10-20)27-15-21(14-26)24-28-23(16-31-24)19-7-5-18(6-8-19)13-17(2)3/h5-12,15-17,27H,4,13H2,1-3H3/b21-15+InChIKey
VRAWTJRBGNMAGP-RCCKNPSSSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C
CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)CC(C)C)C#N
ethyl4(((E)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC25H25N3O2Sc143025(29)2091122(121020)271521(1426)242823(163124)197518(6819)1317(2)3h512151727H413H213H3b2115+
MFCD18170326
ZINC000040476962
ZINC40476962
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