Vitas-M small molecule compound
4-methyl-2-[2-nitro-5-(4-{[4-(propan-2-yl)phenyl]carbonyl}piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK206055
SMILES [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)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 C29H29N5O4 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4/c1-19(2)21-8-10-22(11-9-21)28(35)32-16-14-31(15-17-32)23-12-13-26(34(37)38)27(18-23)33-29(36)25-7-5-4-6-24(25)20(3)30-33/h4-13,18-19H,14-17H2,1-3H3InChIKey
FUBMAMBDNWOOGI-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)C
4METHYL2(2NITRO5(4((4(PROPAN2YL)PHENYL)CARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4methyl2(2nitro5(4(4propan2ylbenzoyl)piperazin1yl)phenyl)phthalazin1one
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(C)C)(N+)(=O)(O)
InChI=1SC29H29N5O4c119(2)2181022(11921)28(35)32161431(151732)23121326(34(37)38)27(1823)3329(36)25754624(25)20(3)3033h4131819H1417H213H3
MFCD06666769
ZINC000009971851
ZINC09971851
ZINC9971851
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