Vitas-M small molecule compound
2-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate
Catalog ID
STL044607
SMILES O=C1C2C(N(OC2C(=O)N1c1ccc(c(c1)Cl)Cl)c1ccccc1)c1ccccc1OS(=O)(=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 C29H20Cl2N2O6S MW 595.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl2N2O6S/c30-22-16-15-19(17-23(22)31)32-28(34)25-26(33(38-27(25)29(32)35)18-9-3-1-4-10-18)21-13-7-8-14-24(21)39-40(36,37)20-11-5-2-6-12-20/h1-17,25-27HInChIKey
JSTBIZGEHTYPEI-UHFFFAOYSA-NSynonyms
(2(5(34DICHLOROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
2(5(34dichlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
2(5(34dichlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzenesulfonate
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5OS(=O)(=O)C6=CC=CC=C6
InChI=1SC29H20Cl2N2O6Sc3022161519(1723(22)31)3228(34)2526(33(3827(25)29(32)35)1893141018)2113781424(21)3940(3637)20115261220h1172527H
MFCD04074976
ZINC000002593452
ZINC000229865399
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