Vitas-M small molecule compound
4-[5-(4-chlorophenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate
Catalog ID
STL043505
SMILES Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]
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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 C29H20ClN3O8S MW 606.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN3O8S/c30-19-11-13-20(14-12-19)31-28(34)25-26(32(40-27(25)29(31)35)21-5-4-6-22(17-21)33(36)37)18-9-15-23(16-10-18)41-42(38,39)24-7-2-1-3-8-24/h1-17,25-27HInChIKey
ZOBFGCHQGWUOAD-UHFFFAOYSA-NSynonyms
(4(5(4CHLOROPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
4(5(4chlorophenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
4(5(4chlorophenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzenesulfonate
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)ON3C6=CC(=CC=C6)(N+)(=O)(O)
Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC29H20ClN3O8Sc3019111320(141219)3128(34)2526(32(4027(25)29(31)35)2154622(1721)33(36)37)1891523(161018)4142(3839)247213824h1172527H
MFCD04077664
ZINC000106015731
ZINC000229872937
Check stock
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Check stock on Vitas-MAvailable files
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