Vitas-M small molecule compound
4-[2,5-bis(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL052238
SMILES O=C(c1ccccc1)Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[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 C30H20N4O9 MW 580.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20N4O9/c35-28-25-26(18-6-16-24(17-7-18)42-30(37)19-4-2-1-3-5-19)32(21-10-14-23(15-11-21)34(40)41)43-27(25)29(36)31(28)20-8-12-22(13-9-20)33(38)39/h1-17,25-27HInChIKey
HUFMLFFVGLRPHU-UHFFFAOYSA-NSynonyms
(4(25BIS(4NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
4(25bis(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(25bis(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)(N+)(=O)(O))ON3C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC30H20N4O9c35282526(1861624(17718)4230(37)194213519)32(21101423(151121)34(40)41)4327(25)29(36)31(28)2081222(13920)33(38)39h1172527H
MFCD05728886
O=C(c1ccccc1)Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
ZINC000102889682
ZINC000225163925
Check stock
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Check stock on Vitas-MAvailable files
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