Vitas-M small molecule compound

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

Catalog ID
STK699656
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C(\C(=O)Nc1ccccc1)/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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-21-12-18-26(19-13-21)37(34,35)36-25-16-14-22(15-17-25)20-27(29(33)30-24-10-6-3-7-11-24)31-28(32)23-8-4-2-5-9-23/h2-20H,1H3,(H,30,33)(H,31,32)/b27-20+
InChIKey
TVTHJBRBTYULRM-NHFJDJAPSA-N
Synonyms
1164451-51-7
(4((E)3ANILINO2BENZAMIDO3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2benzamido3oxo3(phenylamino)prop1en1yl)phenyl4methylbenzenesulfonate
1164451517
4((1E)3oxo3(phenylamino)2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C=C(C(=O)Nc1ccccc1)NC(=O)c1ccccc1
InChI=1SC29H24N2O5Sc121121826(191321)37(3435)3625161422(151725)2027(29(33)3024106371124)3128(32)238425923h220H1H3(H3033)(H3132)b2720+
MFCD01902345
TOLUENE4SULFONICACID4((E)2BENZOYLAMINO2PHENYLCARBAMOYLVINYL)PHENYLESTER
ZINC000013119727
ZINC13119727

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Available files

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