Vitas-M small molecule compound

N-methyl-4-({4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

Catalog ID
STK043800
SMILES CNC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-18-7-8-20(17-24(18)37(34,35)32-13-15-36-16-14-32)25-22-5-3-4-6-23(22)26(31-30-25)29-21-11-9-19(10-12-21)27(33)28-2/h3-12,17H,13-16H2,1-2H3,(H,28,33)(H,29,31)
InChIKey
NBTVGPIRDYVHLK-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC)S(=O)(=O)N5CCOCC5
CNC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C
InChI=1SC27H27N5O4Sc1187820(1724(18)37(3435)32131536161432)2522534623(22)26(313025)292111919(101221)27(33)282h31217H1316H212H3(H2833)(H2931)
MFCD02240573
NMETHYL4(((1E)4(4METHYL3(MORPHOLIN4YLSULFONYL)PHENYL)PHTHALAZIN1(2H)YLIDENE)AMINO)BENZAMIDE
NMETHYL4((4(4METHYL3(MORPHOLIN4YLSULFONYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
Nmethyl4((4(4methyl3(morpholinosulfonyl)phenyl)phthalazin1yl)amino)benzamide
NMETHYL4((4(4METHYL3MORPHOLIN4YLSULFONYLPHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
STK043800
ZINC000017163253
ZINC17163253

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Available files

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