Vitas-M small molecule compound
N-(5-{2-[(2E)-2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
Catalog ID
STK532020
SMILES COc1cc(/C=N/NC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)cc(c1OCc1ccccc1F)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 C27H23ClFN5O4S MW 568.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN5O4S/c1-16-7-3-5-9-19(16)26(36)31-27-34-33-24(39-27)13-23(35)32-30-14-17-11-20(28)25(22(12-17)37-2)38-15-18-8-4-6-10-21(18)29/h3-12,14H,13,15H2,1-2H3,(H,32,35)(H,31,34,36)/b30-14+InChIKey
XMNIJYHOGZRWGE-AMVVHIIESA-NSynonyms
(E)N(5(2(2(3chloro4((2fluorobenzyl)oxy)5methoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4F)OC
COc1cc(C=NNC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)cc(c1OCc1ccccc1F)Cl
InChI=1SC27H23ClFN5O4Sc116735919(16)26(36)3127343324(3927)1323(35)323014171120(28)25(22(1217)372)3815188461021(18)29h31214H1315H212H3(H3235)(H313436)b3014+
MFCD02198431
N(5(2((2E)2((3CHLORO4((2FLUOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)134THIADIAZOL2YL)2METHYLBENZAMIDE
N(5(2((2E)2(3chloro4((2fluorobenzyl)oxy)5methoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
ZINC000097966394
ZINC100326970
Check stock
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Check stock on Vitas-MAvailable files
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