Vitas-M small molecule compound

4-methyl-2-[2-nitro-5-(4-{[3-(propan-2-yloxy)phenyl]carbonyl}piperazin-1-yl)phenyl]phthalazin-1(2H)-one

Catalog ID
STK175355
SMILES CC(Oc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-])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 C29H29N5O5 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5/c1-19(2)39-23-8-6-7-21(17-23)28(35)32-15-13-31(14-16-32)22-11-12-26(34(37)38)27(18-22)33-29(36)25-10-5-4-9-24(25)20(3)30-33/h4-12,17-19H,13-16H2,1-3H3
InChIKey
OTTIRILMUVFDMV-UHFFFAOYSA-N
Synonyms

4METHYL2(2NITRO5(4((3(PROPAN2YLOXY)PHENYL)CARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4METHYL2(2NITRO5(4(3PROPAN2YLOXYBENZOYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1ONE
CC(Oc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O))C
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)OC(C)C)(N+)(=O)(O)
InChI=1SC29H29N5O5c119(2)392386721(1723)28(35)32151331(141632)22111226(34(37)38)27(1822)3329(36)251054924(25)20(3)3033h4121719H1316H213H3
MFCD04080473
ZINC000009892479
ZINC09892479
ZINC9892479

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Available files

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