Vitas-M small molecule compound
(2E)-2-cyano-N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Catalog ID
STL356451
SMILES N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)Nc1ncc(s1)Cc1cc(Cl)ccc1Cl
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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 C21H15Cl2N3O3S MW 460.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N3O3S/c1-29-19-7-12(2-5-18(19)27)6-14(10-24)20(28)26-21-25-11-16(30-21)9-13-8-15(22)3-4-17(13)23/h2-8,11,27H,9H2,1H3,(H,25,26,28)/b14-6+InChIKey
IKPVMBLWTHQQQW-MKMNVTDBSA-NSynonyms
468770-31-2(2E)2cyanoN(5(25dichlorobenzyl)13thiazol2yl)3(4hydroxy3methoxyphenyl)prop2enamide
(E)2CYANON(5((25DICHLOROPHENYL)METHYL)13THIAZOL2YL)3(4HYDROXY3METHOXYPHENYL)PROP2ENAMIDE
(E)2cyanoN(5(25dichlorobenzyl)thiazol2yl)3(4hydroxy3methoxyphenyl)acrylamide
468770312
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl)O
InChI=1SC21H15Cl2N3O3Sc12919712(2518(19)27)614(1024)20(28)2621251116(3021)913815(22)3417(13)23h281127H9H21H3(H252628)b146+
MFCD02979380
N#CC(=Cc1ccc(c(c1)OC)O)C(=O)Nc1ncc(s1)Cc1cc(Cl)ccc1Cl
ZINC000002413681
ZINC02413681
ZINC2413681
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