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Vitas-M small molecule compound

N,N-dimethyl-4-[(4-{4-methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]benzamide

Catalog ID
STK080097
SMILES CN(C(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C)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 C29H31N5O4S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S/c1-19-10-11-21(17-26(19)39(36,37)30-18-23-7-6-16-38-23)27-24-8-4-5-9-25(24)28(33-32-27)31-22-14-12-20(13-15-22)29(35)34(2)3/h4-5,8-15,17,23,30H,6-7,16,18H2,1-3H3,(H,31,33)
InChIKey
SANAWFBGMBPJFG-UHFFFAOYSA-N
Synonyms
488119-69-3
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(C)C)S(=O)(=O)NCC5CCCO5
CN(C(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C)C
InChI=1SC29H31N5O4Sc119101121(1726(19)39(3637)30182376163823)2724845925(24)28(333227)3122141220(131522)29(35)34(2)3h45815172330H671618H213H3(H3133)
MFCD03289309
NNDIMETHYL4(((1Z)4(4METHYL3((TETRAHYDROFURAN2YLMETHYL)SULFAMOYL)PHENYL)PHTHALAZIN1(2H)YLIDENE)AMINO)BENZAMIDE
NNDIMETHYL4((4(4METHYL3((TETRAHYDROFURAN2YLMETHYL)SULFAMOYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
NNdimethyl4((4(4methyl3(N((tetrahydrofuran2yl)methyl)sulfamoyl)phenyl)phthalazin1yl)amino)benzamide
NNDIMETHYL4((4(4METHYL3(OXOLAN2YLMETHYLSULFAMOYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
NNDIMETHYL4(4(4METHYL3((TETRAHYDROFURAN2YLMETHYL)SULFAMOYL)PHENYL)PHTHALAZIN1YLAMINO)BENZAMIDE
STK080097
ZINC000008691736
ZINC000008691737

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Available files

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