Vitas-M small molecule compound

4-{(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate

Catalog ID
STL297545
SMILES COc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1

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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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-21-8-18-27(19-9-21)39(35,36)38-26-14-10-22(11-15-26)20-28(32-29(33)23-6-4-3-5-7-23)30(34)31-24-12-16-25(37-2)17-13-24/h3-20H,1-2H3,(H,31,34)(H,32,33)/b28-20+
InChIKey
OIHZOVQKZZJSCP-VFCFBJKWSA-N
Synonyms
1164531-15-0
(4((E)2BENZAMIDO3(4METHOXYANILINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2benzamido3((4methoxyphenyl)amino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
1164531150
4((1E)3((4methoxyphenyl)amino)3oxo2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)OC)NC(=O)C4=CC=CC=C4
COc1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1
InChI=1SC30H26N2O6Sc12181827(19921)39(3536)3826141022(111526)2028(3229(33)236435723)30(34)3124121625(372)171324h320H12H3(H3134)(H3233)b2820+
MFCD01857468
TOLUENE4SULFONICACID4((E)2BENZOYLAMINO2(4METHOXYPHENYLCARBAMOYL)VINYL)PHENYLESTER
ZINC000008672555
ZINC8672555

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Available files

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