Vitas-M small molecule compound

2-(5-{4-[(4-tert-butylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one

Catalog ID
STK175387
SMILES [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(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 C30H31N5O4 MW 525.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O4/c1-20-24-7-5-6-8-25(24)29(37)34(31-20)27-19-23(13-14-26(27)35(38)39)32-15-17-33(18-16-32)28(36)21-9-11-22(12-10-21)30(2,3)4/h5-14,19H,15-18H2,1-4H3
InChIKey
DHWLAHUWIUSXKD-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
2(5(4((4TERTBUTYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(4TERTBUTYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
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)C)(N+)(=O)(O)
InChI=1SC30H31N5O4c12024756825(24)29(37)34(3120)271923(131426(27)35(38)39)32151733(181632)28(36)2191122(121021)30(23)4h51419H1518H214H3
MFCD04218869
ZINC000009892488
ZINC09892488
ZINC9892488

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Available files

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