Vitas-M small molecule compound
4-{(1Z)-3-(diethylamino)-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL297604
SMILES CCN(C(=O)/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1)CC
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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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-4-29(5-2)27(31)25(28-26(30)22-9-7-6-8-10-22)19-21-13-15-23(16-14-21)34-35(32,33)24-17-11-20(3)12-18-24/h6-19H,4-5H2,1-3H3,(H,28,30)/b25-19-InChIKey
HAMDKHVRVRXBBY-PLRJNAJWSA-NSynonyms
371223-17-5(4((Z)2BENZAMIDO3(DIETHYLAMINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(Z)4(2benzamido3(diethylamino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
371223175
4((1Z)3(diethylamino)3oxo2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CCN(C(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1)CC
CCN(CC)C(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3
InChI=1SC27H28N2O5Sc1429(52)27(31)25(2826(30)2297681022)1921131523(161421)3435(3233)24171120(3)121824h619H45H213H3(H2830)b2519
MFCD01853177
ZINC000002266871
ZINC02266871
ZINC2266871
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