Vitas-M small molecule compound
2-(5-{4-[(3-ethoxyphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
Catalog ID
STK171960
SMILES CCOc1cccc(c1)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 C28H27N5O5 MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O5/c1-3-38-22-8-6-7-20(17-22)27(34)31-15-13-30(14-16-31)21-11-12-25(33(36)37)26(18-21)32-28(35)24-10-5-4-9-23(24)19(2)29-32/h4-12,17-18H,3,13-16H2,1-2H3InChIKey
ANDJBJIHTMPBOD-UHFFFAOYSA-NSynonyms
2(5(4((3ETHOXYPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(3ETHOXYBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C
CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC28H27N5O5c13382286720(1722)27(34)31151330(141631)21111225(33(36)37)26(1821)3228(35)241054923(24)19(2)2932h4121718H31316H212H3
MFCD05993744
ZINC000009891916
ZINC09891916
ZINC9891916
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