Vitas-M small molecule compound
1-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(4-methoxybenzylidene)hydrazinyl]propan-2-yl benzoate
Catalog ID
STK134160
SMILES COc1ccc(cc1)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CC(OC(=O)c1ccccc1)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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-18(33-25(29)20-8-4-3-5-9-20)17-28(26-16-19-12-14-21(32-2)15-13-19)24-22-10-6-7-11-23(22)34(30,31)27-24/h3-16,18H,17H2,1-2H3/b26-16+InChIKey
SWBFFVNVYDFBNO-WGOQTCKBSA-NSynonyms
1((11dioxo12benzothiazol3yl)((E)(4methoxyphenyl)methylideneamino)amino)propan2ylbenzoate
1((2E)1(11DIOXIDO12BENZOTHIAZOL3YL)2(4METHOXYBENZYLIDENE)HYDRAZINYL)PROPAN2YLBENZOATE
CC(CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(C=C3)OC)OC(=O)C4=CC=CC=C4
COc1ccc(cc1)C=NN(C1=NS(=O)(=O)c2c1cccc2)CC(OC(=O)c1ccccc1)C
InChI=1SC25H23N3O5Sc118(3325(29)208435920)1728(261619121421(322)151319)242210671123(22)34(3031)2724h31618H17H212H3b2616+
MFCD01580883
ZINC000009850742
ZINC000009850743
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