Vitas-M small molecule compound
N-(4-chloro-3-nitrophenyl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butanamide
Catalog ID
STK260305
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])Cl)CCCN1C(=O)C2C(C1=O)CC=CC2
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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 C18H18ClN3O5 MW 391.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O5/c19-14-8-7-11(10-15(14)22(26)27)20-16(23)6-3-9-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,7-8,10,12-13H,3-6,9H2,(H,20,23)InChIKey
ALUKWSDTDKYMLG-UHFFFAOYSA-NSynonyms
C1C=CCC2C1C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC18H18ClN3O5c19148711(1015(14)22(26)27)2016(23)6392117(24)12412513(12)18(21)25h1278101213H369H2(H2023)
MFCD08681347
N(4chloro3nitrophenyl)4(13dioxo133a477ahexahydro2Hisoindol2yl)butanamide
N(4chloro3nitrophenyl)4(13dioxo3a477atetrahydroisoindol2yl)butanamide
O=C(Nc1ccc(c(c1)(N+)(=O)(O))Cl)CCCN1C(=O)C2C(C1=O)CC=CC2
ZINC000018244189
ZINC000102547327
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