Vitas-M small molecule compound
2-{5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
Catalog ID
STK154742
SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)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 C26H25N5O5S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5S/c1-2-37(35,36)29-16-14-28(15-17-29)20-12-13-23(31(33)34)24(18-20)30-26(32)22-11-7-6-10-21(22)25(27-30)19-8-4-3-5-9-19/h3-13,18H,2,14-17H2,1H3InChIKey
BPXQCJHGAOJRFQ-UHFFFAOYSA-NSynonyms
593237-63-92(5(4(ETHYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4ETHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
593237639
CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)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=CC=C5
InChI=1SC26H25N5O5Sc1237(3536)29161428(151729)20121323(31(33)34)24(1820)3026(32)2211761021(22)25(2730)198435919h31318H21417H21H3
MFCD03688422
ZINC000008816894
ZINC08816894
ZINC8816894
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