Vitas-M small molecule compound
4-{(1E)-3-[(2-hydroxyethyl)amino]-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL297753
SMILES OCCNC(=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 C25H24N2O6S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6S/c1-18-7-13-22(14-8-18)34(31,32)33-21-11-9-19(10-12-21)17-23(25(30)26-15-16-28)27-24(29)20-5-3-2-4-6-20/h2-14,17,28H,15-16H2,1H3,(H,26,30)(H,27,29)/b23-17+InChIKey
HFSSNEPIBQTJAK-HAVVHWLPSA-NSynonyms
371936-32-2(4((E)2BENZAMIDO3(2HYDROXYETHYLAMINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2benzamido3((2hydroxyethyl)amino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
371936322
4((1E)2(N(2HYDROXYETHYL)CARBAMOYL)2(PHENYLCARBONYLAMINO)VINYL)PHENYL4METHYLBENZENESULFONATE
4((1E)3((2hydroxyethyl)amino)3oxo2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCO)NC(=O)C3=CC=CC=C3
InChI=1SC25H24N2O6Sc11871322(14818)34(3132)332111919(101221)1723(25(30)26151628)2724(29)205324620h2141728H1516H21H3(H2630)(H2729)b2317+
MFCD01854080
OCCNC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1
ZINC000013424497
ZINC13424497
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