Vitas-M small molecule compound
2-[(2E)-2-{5-methoxy-2-[3-(4-methylphenoxy)propoxy]benzylidene}hydrazinyl]-1,3-benzothiazole
Catalog ID
STK104045
SMILES COc1ccc(c(c1)/C=N/Nc1nc2c(s1)cccc2)OCCCOc1ccc(cc1)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-18-8-10-20(11-9-18)30-14-5-15-31-23-13-12-21(29-2)16-19(23)17-26-28-25-27-22-6-3-4-7-24(22)32-25/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,27,28)/b26-17+InChIKey
TXCWOMLOVXZTKQ-YZSQISJMSA-NSynonyms
2((2E)2(5METHOXY2(3(4METHYLPHENOXY)PROPOXY)BENZYLIDENE)HYDRAZINYL)13BENZOTHIAZOLE
CC1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)OC)C=NNC3=NC4=CC=CC=C4S3
COc1ccc(c(c1)C=NNc1nc2c(s1)cccc2)OCCCOc1ccc(cc1)C
InChI=1SC25H25N3O3Sc11881020(11918)30145153123131221(292)1619(23)172628252722634724(22)3225h346131617H51415H212H3(H2728)b2617+
MFCD08672947
N((E)(5methoxy2(3(4methylphenoxy)propoxy)phenyl)methylideneamino)13benzothiazol2amine
ZINC000012464195
ZINC96609610
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