Vitas-M small molecule compound
(2E)-N-[5-(3-chloro-4-methylbenzyl)-1,3-thiazol-2-yl]-2-cyano-3-[4-(hexyloxy)phenyl]prop-2-enamide
Catalog ID
STL017050
SMILES CCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(c(c1)Cl)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 C27H28ClN3O2S MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2S/c1-3-4-5-6-13-33-23-11-9-20(10-12-23)14-22(17-29)26(32)31-27-30-18-24(34-27)15-21-8-7-19(2)25(28)16-21/h7-12,14,16,18H,3-6,13,15H2,1-2H3,(H,30,31,32)/b22-14+InChIKey
ZCLPNEHTCDGVMW-HYARGMPZSA-NSynonyms
(2E)N(5((3CHLORO4METHYLPHENYL)METHYL)(13THIAZOL2YL))2CYANO3(4HEXYLOXYPHENYL)PROP2ENAMIDE
(2E)N(5(3chloro4methylbenzyl)13thiazol2yl)2cyano3(4(hexyloxy)phenyl)prop2enamide
(E)N(5((3CHLORO4METHYLPHENYL)METHYL)13THIAZOL2YL)2CYANO3(4HEXOXYPHENYL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)C)Cl
CCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccc(c(c1)Cl)C)C#N
InChI=1SC27H28ClN3O2Sc1345613332311920(101223)1422(1729)26(32)3127301824(3427)15218719(2)25(28)1621h712141618H361315H212H3(H303132)b2214+
MFCD02979604
ZINC000002553696
ZINC02553696
ZINC2553696
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