Vitas-M small molecule compound
(2E)-2-cyano-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamide
Catalog ID
STL017021
SMILES CCCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)\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 C27H28FN3O3S MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O3S/c1-3-4-5-6-13-34-24-12-9-20(16-25(24)33-2)14-21(17-29)26(32)31-27-30-18-23(35-27)15-19-7-10-22(28)11-8-19/h7-12,14,16,18H,3-6,13,15H2,1-2H3,(H,30,31,32)/b21-14+InChIKey
BORDKPOLLQNBFB-KGENOOAVSA-NSynonyms
(2E)2CYANON(5((4FLUOROPHENYL)METHYL)(13THIAZOL2YL))3(4HEXYLOXY3METHOXYPHENYL)PROP2ENAMIDE
(2E)2cyanoN(5(4fluorobenzyl)13thiazol2yl)3(4(hexyloxy)3methoxyphenyl)prop2enamide
(E)2CYANON(5((4FLUOROPHENYL)METHYL)13THIAZOL2YL)3(4HEXOXY3METHOXYPHENYL)PROP2ENAMIDE
CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F)OC
CCCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)C#N
InChI=1SC27H28FN3O3Sc1345613342412920(1625(24)332)1421(1729)26(32)3127301823(3527)151971022(28)11819h712141618H361315H212H3(H303132)b2114+
MFCD02979312
ZINC000009495007
ZINC09495007
ZINC9495007
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