Vitas-M small molecule compound

4-(4-chlorophenyl)-2-{5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one

Catalog ID
STK154800
SMILES Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccco1

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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 C29H22ClN5O5 MW 555.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN5O5/c30-20-9-7-19(8-10-20)27-22-4-1-2-5-23(22)28(36)34(31-27)25-18-21(11-12-24(25)35(38)39)32-13-15-33(16-14-32)29(37)26-6-3-17-40-26/h1-12,17-18H,13-16H2
InChIKey
ICGICDUYODCYFK-UHFFFAOYSA-N
Synonyms

4(4chlorophenyl)2(5(4(furan2carbonyl)piperazin1yl)2nitrophenyl)phthalazin1(2H)one
4(4CHLOROPHENYL)2(5(4(FURAN2CARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
4(4CHLOROPHENYL)2(5(4(FURAN2YLCARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CO6
Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccco1
InChI=1SC29H22ClN5O5c30209719(81020)2722412523(22)28(36)34(3127)251821(111224(25)35(38)39)32131533(161432)29(37)2663174026h1121718H1316H2
MFCD03923688
ZINC000100365123
ZINC100365123

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Available files

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