Vitas-M small molecule compound
2-(5-{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
Catalog ID
STK171866
SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-]
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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 C27H25N5O5 MW 499.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5/c1-18-22-5-3-4-6-23(22)27(34)31(28-18)25-17-20(9-12-24(25)32(35)36)29-13-15-30(16-14-29)26(33)19-7-10-21(37-2)11-8-19/h3-12,17H,13-16H2,1-2H3InChIKey
QUIQJKFNBAUJMQ-UHFFFAOYSA-NSynonyms
2(5(4((4METHOXYPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(4METHOXYBENZOYL)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)OC)(N+)(=O)(O)
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC27H25N5O5c11822534623(22)27(34)31(2818)251720(91224(25)32(35)36)29131530(161429)26(33)1971021(372)11819h31217H1316H212H3
MFCD04072101
ZINC000009891894
ZINC09891894
ZINC9891894
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