Vitas-M small molecule compound
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-methyl-3-nitrophenyl)-3-phenylpropanamide
Catalog ID
STK257949
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])C
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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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-14-7-10-18(13-19(14)28(32)33)26-23(29)20(11-15-5-3-2-4-6-15)27-24(30)21-16-8-9-17(12-16)22(21)25(27)31/h2-10,13,16-17,20-22H,11-12H2,1H3,(H,26,29)InChIKey
JRRUULMNUOHYJO-UHFFFAOYSA-NSynonyms
2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)N(4METHYL3NITROPHENYL)3PHENYLPROPANAMIDE
CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)(N+)(=O)(O)
InChI=1SC25H23N3O5c11471018(1319(14)28(32)33)2623(29)20(11155324615)2724(30)21168917(1216)22(21)25(27)31h2101316172022H1112H21H3(H2629)
MFCD03185332
O=C(C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1)Nc1ccc(c(c1)(N+)(=O)(O))C
ZINC000101329387
ZINC000239121300
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