Vitas-M small molecule compound

2-methoxy-N-methyl-5-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzamide

Catalog ID
STK036705
SMILES CNC(=O)c1cc(ccc1OC)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)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 C29H32N6O4S MW 560.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N6O4S/c1-19-9-10-20(17-26(19)40(37,38)35-15-13-34(3)14-16-35)27-22-7-5-6-8-23(22)28(33-32-27)31-21-11-12-25(39-4)24(18-21)29(36)30-2/h5-12,17-18H,13-16H2,1-4H3,(H,30,36)(H,31,33)
InChIKey
KSWZCHBJGAKUDX-UHFFFAOYSA-N
Synonyms

2METHOXYNMETHYL5((4(4METHYL3((4METHYLPIPERAZIN1YL)SULFONYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
2METHOXYNMETHYL5((4(4METHYL3(4METHYLPIPERAZIN1YL)SULFONYLPHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)NC)S(=O)(=O)N5CCN(CC5)C
CNC(=O)c1cc(ccc1OC)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C)C
InChI=1SC29H32N6O4Sc11991020(1726(19)40(3738)35151334(3)141635)2722756823(22)28(333227)3121111225(394)24(1821)29(36)302h5121718H1316H214H3(H3036)(H3133)
MFCD03291290
STK036705
ZINC000098000102
ZINC98000102

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Available files

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