Vitas-M small molecule compound
4-{(1E)-3-[(3-hydroxypropyl)amino]-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL298022
SMILES OCCCNC(=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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-19-8-14-23(15-9-19)35(32,33)34-22-12-10-20(11-13-22)18-24(26(31)27-16-5-17-29)28-25(30)21-6-3-2-4-7-21/h2-4,6-15,18,29H,5,16-17H2,1H3,(H,27,31)(H,28,30)/b24-18+InChIKey
QZURAVHKQDNVFC-HKOYGPOVSA-NSynonyms
371953-93-4(4((E)2BENZAMIDO3(3HYDROXYPROPYLAMINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2benzamido3((3hydroxypropyl)amino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
371953934
4((1E)2(N(3HYDROXYPROPYL)CARBAMOYL)2(PHENYLCARBONYLAMINO)VINYL)PHENYL4METHYLBENZENESULFONATE
4((1E)3((3hydroxypropyl)amino)3oxo2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCCO)NC(=O)C3=CC=CC=C3
InChI=1SC26H26N2O6Sc11981423(15919)35(3233)3422121020(111322)1824(26(31)271651729)2825(30)216324721h246151829H51617H21H3(H2731)(H2830)b2418+
MFCD01857165
OCCCNC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1
ZINC000013424498
ZINC13424498
Check stock
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Check stock on Vitas-MAvailable files
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