Vitas-M small molecule compound
2-{[(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzonitrile
Catalog ID
STK112316
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccccc2C#N)cc(c1O)[N+](=O)[O-]
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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 C20H15N3O6S MW 425.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O6S/c1-2-29-16-8-12(7-15(18(16)24)23(27)28)9-17-19(25)22(20(26)30-17)11-14-6-4-3-5-13(14)10-21/h3-9,24H,2,11H2,1H3/b17-9-InChIKey
CXDUGZYOGIVLKU-MFOYZWKCSA-NSynonyms
2(((5Z)5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)METHYL)BENZONITRILE
2(((5Z)5(3ETHOXY4HYDROXY5NITROBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)METHYL)BENZONITRILE
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3C#N
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2ccccc2C#N)cc(c1O)(N+)(=O)(O)
InChI=1SC20H15N3O6Sc122916812(715(18(16)24)23(27)28)91719(25)22(20(26)3017)1114643513(14)1021h3924H211H21H3b179
MFCD04127106
ZINC000012469334
ZINC12469334
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