Vitas-M small molecule compound

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-nitrophenyl)butanediamide

Catalog ID
STK625603
SMILES O=C(NCC1OCCc2c1cccc2)CCC(=O)Nc1ccc(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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c24-19(21-13-18-17-4-2-1-3-14(17)11-12-28-18)9-10-20(25)22-15-5-7-16(8-6-15)23(26)27/h1-8,18H,9-13H2,(H,21,24)(H,22,25)
InChIKey
ZZBQOKTYKRNRML-UHFFFAOYSA-N
Synonyms
929962-23-2
929962232
C1COC(C2=CC=CC=C21)CNC(=O)CCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H21N3O5c2419(21131817421314(17)11122818)91020(25)22155716(8615)23(26)27h1818H913H2(H2124)(H2225)
MFCD09793275
N(34dihydro1Hisochromen1ylmethyl)N(4nitrophenyl)butanediamide
N1(isochroman1ylmethyl)N4(4nitrophenyl)succinamide
O=C(NCC1OCCc2c1cccc2)CCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000009054196
ZINC000009054197

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Available files

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