Vitas-M small molecule compound
4-[(E)-{2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene}methyl]phenyl acetate
Catalog ID
STK097229
SMILES O=C(NC1CCCCC1)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)OC(=O)C
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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 C25H28N4O5S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5S/c1-18(30)34-21-13-11-19(12-14-21)17-26-29(16-15-24(31)27-20-7-3-2-4-8-20)25-22-9-5-6-10-23(22)35(32,33)28-25/h5-6,9-14,17,20H,2-4,7-8,15-16H2,1H3,(H,27,31)/b26-17+InChIKey
CSRQPBQZFVLYFH-YZSQISJMSA-NSynonyms
(4((E)((3(cyclohexylamino)3oxopropyl)(11dioxo12benzothiazol3yl)hydrazinylidene)methyl)phenyl)acetate
4((E)(2(3(CYCLOHEXYLAMINO)3OXOPROPYL)2(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYLIDENE)METHYL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)C=NN(CCC(=O)NC2CCCCC2)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC25H28N4O5Sc118(30)3421131119(121421)172629(161524(31)27207324820)25229561023(22)35(3233)2825h569141720H24781516H21H3(H2731)b2617+
MFCD03215110
O=C(NC1CCCCC1)CCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccc(cc1)OC(=O)C
STK097229
ZINC000013895726
ZINC68169355
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