Vitas-M small molecule compound
5-[(E)-{2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene}methyl]-2-methoxyphenyl acetate
Catalog ID
STK012186
SMILES COc1ccc(cc1OC(=O)C)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC1CCCCC1
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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 C26H30N4O6S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6S/c1-18(31)36-23-16-19(12-13-22(23)35-2)17-27-30(15-14-25(32)28-20-8-4-3-5-9-20)26-21-10-6-7-11-24(21)37(33,34)29-26/h6-7,10-13,16-17,20H,3-5,8-9,14-15H2,1-2H3,(H,28,32)/b27-17+InChIKey
ASVOJZVJSCRPFH-WPWMEQJKSA-NSynonyms
(5((E)((3(cyclohexylamino)3oxopropyl)(11dioxo12benzothiazol3yl)hydrazinylidene)methyl)2methoxyphenyl)acetate
5((E)(2(3(CYCLOHEXYLAMINO)3OXOPROPYL)2(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=CC(=C1)C=NN(CCC(=O)NC2CCCCC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC
COc1ccc(cc1OC(=O)C)C=NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC1CCCCC1
InChI=1SC26H30N4O6Sc118(31)36231619(121322(23)352)172730(151425(32)28208435920)262110671124(21)37(3334)2926h671013161720H35891415H212H3(H2832)b2717+
MFCD03215107
STK012186
ZINC000013939936
ZINC101390436
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