Vitas-M small molecule compound
4-methyl-2-{2-nitro-5-[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Catalog ID
STK172057
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3
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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 C31H35N5O4 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O4/c1-20-25-4-2-3-5-26(25)30(38)35(32-20)28-15-24(6-7-27(28)36(39)40)33-8-10-34(11-9-33)29(37)19-31-16-21-12-22(17-31)14-23(13-21)18-31/h2-7,15,21-23H,8-14,16-19H2,1H3InChIKey
RTKITESXVPSQKC-UHFFFAOYSA-NSynonyms
2(5(4(2(1ADAMANTYL)ACETYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
2(5(4(2ADAMANTANYLACETYL)PIPERAZINYL)2NITROPHENYL)4METHYL2HYDROPHTHALAZIN1ONE
4methyl2(2nitro5(4(tricyclo(3311~37~)dec1ylacetyl)piperazin1yl)phenyl)phthalazin1(2H)one
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)CC56CC7CC(C5)CC(C7)C6)(N+)(=O)(O)
InChI=1SC31H35N5O4c12025423526(25)30(38)35(3220)281524(6727(28)36(39)40)3381034(11933)29(37)193116211222(1731)1423(1321)1831h27152123H8141619H21H3
MFCD05661690
O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000004125143
ZINC4125143
Check stock
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Check stock on Vitas-MAvailable files
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