Vitas-M small molecule compound
4-[2-(3-nitrophenyl)-4,6-dioxo-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzenesulfonate
Catalog ID
STK565141
SMILES CCCOc1ccc(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 C32H27N3O9S MW 629.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O9S/c1-2-19-42-25-17-13-22(14-18-25)33-31(36)28-29(34(43-30(28)32(33)37)23-7-6-8-24(20-23)35(38)39)21-11-15-26(16-12-21)44-45(40,41)27-9-4-3-5-10-27/h3-18,20,28-30H,2,19H2,1H3InChIKey
KCQXYCBKGSSDBT-UHFFFAOYSA-NSynonyms
(4(2(3NITROPHENYL)46DIOXO5(4PROPOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZENESULFONATE
4(2(3nitrophenyl)46dioxo5(4propoxyphenyl)hexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzenesulfonate
4(2(3nitrophenyl)46dioxo5(4propoxyphenyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzenesulfonate
CCCOC1=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
CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC32H27N3O9Sc12194225171322(141825)3331(36)2829(34(4330(28)32(33)37)2376824(2023)35(38)39)21111526(161221)4445(4041)2794351027h318202830H219H21H3
MFCD04078300
ZINC000150648083
ZINC000245326444
Check stock
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Check stock on Vitas-MAvailable files
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