Vitas-M small molecule compound
4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate
Catalog ID
STL050452
SMILES Cc1ccc(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 C30H23N3O8S MW 585.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O8S/c1-19-10-14-21(15-11-19)31-29(34)26-27(32(40-28(26)30(31)35)22-6-5-7-23(18-22)33(36)37)20-12-16-24(17-13-20)41-42(38,39)25-8-3-2-4-9-25/h2-18,26-28H,1H3InChIKey
DVCZDRCEAYRFBE-UHFFFAOYSA-NSynonyms
(4(5(4METHYLPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
4(2(3nitrophenyl)46dioxo5(ptolyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzenesulfonate
4(5(4methylphenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC=C6
Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC30H23N3O8Sc119101421(151119)3129(34)2627(32(4028(26)30(31)35)2265723(1822)33(36)37)20121624(171320)4142(3839)258324925h2182628H1H3
MFCD05736107
ZINC000106018281
ZINC000245245595
Check stock
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Check stock on Vitas-MAvailable files
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