Vitas-M small molecule compound

2-{5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(4-methylphenyl)phthalazin-1(2H)-one

Catalog ID
STK154743
SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c1-3-38(36,37)30-16-14-29(15-17-30)21-12-13-24(32(34)35)25(18-21)31-27(33)23-7-5-4-6-22(23)26(28-31)20-10-8-19(2)9-11-20/h4-13,18H,3,14-17H2,1-2H3
InChIKey
TUVBCVKVWHPIPU-UHFFFAOYSA-N
Synonyms
593237-64-0
2(5(4(ETHYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)4(4METHYLPHENYL)PHTHALAZIN1(2H)ONE
2(5(4(ethylsulfonyl)piperazin1yl)2nitrophenyl)4(ptolyl)phthalazin1(2H)one
2(5(4ETHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)4(4METHYLPHENYL)PHTHALAZIN1ONE
593237640
CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)(N+)(=O)(O)
CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C
InChI=1SC27H27N5O5Sc1338(3637)30161429(151730)21121324(32(34)35)25(1821)3127(33)23754622(23)26(2831)2010819(2)91120h41318H31417H212H3
MFCD03686240
ZINC000059587042
ZINC59587042

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Available files

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