Vitas-M small molecule compound
(2E)-N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
Catalog ID
STK848124
SMILES CCOc1ccc(cc1OC)/C=C/C(=O)/N=c\1/[nH]nc(s1)Cc1ccc(cc1)Cl
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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 C21H20ClN3O3S MW 429.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O3S/c1-3-28-17-10-6-14(12-18(17)27-2)7-11-19(26)23-21-25-24-20(29-21)13-15-4-8-16(22)9-5-15/h4-12H,3,13H2,1-2H3,(H,23,25,26)/b11-7+InChIKey
YLULQTFJIXRZES-YRNVUSSQSA-NSynonyms
430469-59-3(2E)N((2Z)5(4chlorobenzyl)134thiadiazol2(3H)ylidene)3(4ethoxy3methoxyphenyl)prop2enamide
(2E)N(5((4CHLOROPHENYL)METHYL)(134THIADIAZOL2YL))3(4ETHOXY3METHOXYPHENYL)PROP2ENAMIDE
(E)N(5((4CHLOROPHENYL)METHYL)134THIADIAZOL2YL)3(4ETHOXY3METHOXYPHENYL)PROP2ENAMIDE
430469593
CCOC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)OC
CCOc1ccc(cc1OC)C=CC(=O)N=c1(nH)nc(s1)Cc1ccc(cc1)Cl
InChI=1SC21H20ClN3O3Sc13281710614(1218(17)272)71119(26)2321252420(2921)13154816(22)9515h412H313H212H3(H232526)b117+
MFCD07198686
ZINC000009331469
ZINC09331469
ZINC9331469
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