Vitas-M small molecule compound
2-ethoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STK557037
SMILES CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-3-30-18-10-14(11-23-25-19(28)12-32-21-26-24-13-27(21)2)4-9-17(18)31-20(29)15-5-7-16(22)8-6-15/h4-11,13H,3,12H2,1-2H3,(H,25,28)/b23-11+InChIKey
CIIVFDOXPFKWBC-FOKLQQMPSA-NSynonyms
577988-50-2(2ETHOXY4((E)((2((4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
(E)2ethoxy4((2(2((4methyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)phenyl4chlorobenzoate
2ethoxy4((E)(2(((4methyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl4chlorobenzoate
4CHLOROBENZOICACID2ETHOXY4((2(4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)HYDRAZONOMETHYL)PHENYLESTER
577988502
CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=CN2C)OC(=O)C3=CC=C(C=C3)Cl
CCOc1cc(C=NNC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC21H20ClN5O4Sc1330181014(11232519(28)12322126241327(21)2)4917(18)3120(29)155716(22)8615h41113H312H212H3(H2528)b2311+
MFCD03327407
ZINC000002349234
ZINC33362142
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