Vitas-M small molecule compound
2-[5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate
Catalog ID
STL056875
SMILES Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)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 C29H21ClN2O6S MW 561.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O6S/c30-19-15-17-20(18-16-19)31-28(33)25-26(32(37-27(25)29(31)34)21-9-3-1-4-10-21)23-13-7-8-14-24(23)38-39(35,36)22-11-5-2-6-12-22/h1-18,25-27HInChIKey
KNTBAPSEJMDMLH-UHFFFAOYSA-NSynonyms
(2(5(4CHLOROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
2(5(4chlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
2(5(4chlorophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzenesulfonate
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5OS(=O)(=O)C6=CC=CC=C6
InChI=1SC29H21ClN2O6Sc3019151720(181619)3128(33)2526(32(3727(25)29(31)34)2193141021)2313781424(23)3839(3536)22115261222h1182527H
MFCD05732552
ZINC000102896676
ZINC000229927785
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