Vitas-M small molecule compound

ethyl N-{[5-(4-{[4-(2-amino-2-oxoethoxy)phenyl]amino}phthalazin-1-yl)-2-methylphenyl]sulfonyl}glycinate

Catalog ID
STK088106
SMILES CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc(cc1)OCC(=O)N

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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 C27H27N5O6S MW 549.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O6S/c1-3-37-25(34)15-29-39(35,36)23-14-18(9-8-17(23)2)26-21-6-4-5-7-22(21)27(32-31-26)30-19-10-12-20(13-11-19)38-16-24(28)33/h4-14,29H,3,15-16H2,1-2H3,(H2,28,33)(H,30,32)
InChIKey
IFDBMUQVXOCSEO-UHFFFAOYSA-N
Synonyms

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N)C
CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc(cc1)OCC(=O)N
ETHYL2((5(4(4(2AMINO2OXOETHOXY)ANILINO)PHTHALAZIN1YL)2METHYLPHENYL)SULFONYLAMINO)ACETATE
ethyl2(5(4((4(2amino2oxoethoxy)phenyl)amino)phthalazin1yl)2methylphenylsulfonamido)acetate
ETHYLN((5((4E)4((4(2AMINO2OXOETHOXY)PHENYL)IMINO)34DIHYDROPHTHALAZIN1YL)2METHYLPHENYL)SULFONYL)GLYCINATE
ETHYLN((5(4((4(2AMINO2OXOETHOXY)PHENYL)AMINO)PHTHALAZIN1YL)2METHYLPHENYL)SULFONYL)GLYCINATE
InChI=1SC27H27N5O6Sc133725(34)152939(3536)231418(9817(23)2)2621645722(21)27(323126)3019101220(131119)381624(28)33h41429H31516H212H3(H22833)(H3032)
MFCD02241500
STK088106
ZINC02298997
ZINC2298997

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Available files

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