Vitas-M small molecule compound
N-[5-(2-{(2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
Catalog ID
STK698236
SMILES COc1cc(/C=N/NC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)ccc1OCc1ccccc1
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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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-18-8-6-7-11-21(18)26(34)29-27-32-31-25(37-27)15-24(33)30-28-16-20-12-13-22(23(14-20)35-2)36-17-19-9-4-3-5-10-19/h3-14,16H,15,17H2,1-2H3,(H,30,33)(H,29,32,34)/b28-16+InChIKey
FJQMROHAPUUTHS-LQKURTRISA-NSynonyms
(E)N(5(2(2(4(benzyloxy)3methoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
COc1cc(C=NNC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)ccc1OCc1ccccc1
InChI=1SC27H25N5O4Sc1188671121(18)26(34)2927323125(3727)1524(33)30281620121322(23(1420)352)36171994351019h31416H1517H212H3(H3033)(H293234)b2816+
MFCD02995896
N(5(2((2E)2((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)134THIADIAZOL2YL)2METHYLBENZAMIDE
N(5(2((2E)2(4(benzyloxy)3methoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
ZINC000008914495
ZINC33352588
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