Vitas-M small molecule compound

N-(2-hydroxyethyl)-2-methyl-5-(4-{[3-(trifluoromethyl)phenyl]amino}phthalazin-1-yl)benzenesulfonamide

Catalog ID
STK063609
SMILES OCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1cccc(c1)C(F)(F)F

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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 C24H21F3N4O3S MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N4O3S/c1-15-9-10-16(13-21(15)35(33,34)28-11-12-32)22-19-7-2-3-8-20(19)23(31-30-22)29-18-6-4-5-17(14-18)24(25,26)27/h2-10,13-14,28,32H,11-12H2,1H3,(H,29,31)
InChIKey
UTDQUZBJBKWRTN-UHFFFAOYSA-N
Synonyms
442649-03-8
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)NCCO
InChI=1SC24H21F3N4O3Sc11591016(1321(15)35(3334)28111232)2219723820(19)23(313022)291864517(1418)24(2526)27h21013142832H1112H21H3(H2931)
MFCD03301511
N(2HYDROXYETHYL)2METHYL5((4Z)4((3(TRIFLUOROMETHYL)PHENYL)IMINO)34DIHYDROPHTHALAZIN1YL)BENZENESULFONAMIDE
N(2HYDROXYETHYL)2METHYL5(4((3(TRIFLUOROMETHYL)PHENYL)AMINO)PHTHALAZIN1YL)BENZENESULFONAMIDE
N(2HYDROXYETHYL)2METHYL5(4(3(TRIFLUOROMETHYL)ANILINO)PHTHALAZIN1YL)BENZENESULFONAMIDE
OCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1cccc(c1)C(F)(F)F
STK063609
ZINC000002348199
ZINC02348199
ZINC2348199

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.