Vitas-M small molecule compound
N-[5-(2-{(2E)-2-[4-(benzyloxy)-3-chloro-5-ethoxybenzylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
Catalog ID
STK532765
SMILES CCOc1cc(/C=N/NC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)cc(c1OCc1ccccc1)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 C28H26ClN5O4S MW 564.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O4S/c1-3-37-23-14-20(13-22(29)26(23)38-17-19-10-5-4-6-11-19)16-30-32-24(35)15-25-33-34-28(39-25)31-27(36)21-12-8-7-9-18(21)2/h4-14,16H,3,15,17H2,1-2H3,(H,32,35)(H,31,34,36)/b30-16+InChIKey
NASRJYSLLFCAIP-OKCVXOCRSA-NSynonyms
(E)N(5(2(2(4(benzyloxy)3chloro5ethoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3C)Cl)OCC4=CC=CC=C4
CCOc1cc(C=NNC(=O)Cc2nnc(s2)NC(=O)c2ccccc2C)cc(c1OCc1ccccc1)Cl
InChI=1SC28H26ClN5O4Sc1337231420(1322(29)26(23)381719105461119)16303224(35)1525333428(3925)3127(36)211287918(21)2h41416H31517H212H3(H3235)(H313436)b3016+
MFCD02198241
N(5(2((2E)2((3CHLORO5ETHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)134THIADIAZOL2YL)2METHYLBENZAMIDE
N(5(2((2E)2(4(benzyloxy)3chloro5ethoxybenzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
ZINC000001897907
ZINC58993743
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