Vitas-M small molecule compound

methyl (2E)-3-[(3,4-dimethoxyphenyl)amino]-2-{[4-(propan-2-yl)phenyl]sulfonyl}prop-2-enoate

Catalog ID
STL133334
SMILES COC(=O)/C(=C\Nc1ccc(c(c1)OC)OC)/S(=O)(=O)c1ccc(cc1)C(C)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 C21H25NO6S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO6S/c1-14(2)15-6-9-17(10-7-15)29(24,25)20(21(23)28-5)13-22-16-8-11-18(26-3)19(12-16)27-4/h6-14,22H,1-5H3/b20-13+
InChIKey
VCJKELWUWYMHLJ-DEDYPNTBSA-N
Synonyms

CC(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=C(C=C2)OC)OC)C(=O)OC
COC(=O)C(=CNc1ccc(c(c1)OC)OC)S(=O)(=O)c1ccc(cc1)C(C)C
InChI=1SC21H25NO6Sc114(2)156917(10715)29(2425)20(21(23)285)13221681118(263)19(1216)274h61422H15H3b2013+
methyl(2E)3((34dimethoxyphenyl)amino)2((4(propan2yl)phenyl)sulfonyl)prop2enoate
methyl(E)3(34dimethoxyanilino)2(4propan2ylphenyl)sulfonylprop2enoate
MFCD20753654
ZINC000067340545
ZINC67340545

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Available files

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