Vitas-M small molecule compound
4-(2,5-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
Catalog ID
STK157530
SMILES OCCN1CCN(CC1)c1ccc(c(c1)n1nc(c2cc(C)ccc2C)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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-19-7-8-20(2)24(17-19)27-22-5-3-4-6-23(22)28(35)32(29-27)26-18-21(9-10-25(26)33(36)37)31-13-11-30(12-14-31)15-16-34/h3-10,17-18,34H,11-16H2,1-2H3InChIKey
YSXJTGSBGXTTIW-UHFFFAOYSA-NSynonyms
4(25DIMETHYLPHENYL)2(5(4(2HYDROXYETHYL)1PIPERAZINYL)2NITROPHENYL)1(2H)PHTHALAZINONE
4(25DIMETHYLPHENYL)2(5(4(2HYDROXYETHYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(25DIMETHYLPHENYL)2(5(4(2HYDROXYETHYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
4(25DIMETHYLPHENYL)2(5(4(2HYDROXYETHYL)PIPERAZINYL)2NITROPHENYL)2HYDROPHTHALAZIN1ONE
CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)CCO)(N+)(=O)(O)
InChI=1SC28H29N5O4c1197820(2)24(1719)2722534623(22)28(35)32(2927)261821(91025(26)33(36)37)31131130(121431)151634h310171834H1116H212H3
MFCD03719840
OCCN1CCN(CC1)c1ccc(c(c1)n1nc(c2cc(C)ccc2C)c2c(c1=O)cccc2)(N+)(=O)(O)
ZINC000019849886
ZINC19849886
Check stock
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Check stock on Vitas-MAvailable files
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