Vitas-M small molecule compound

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(piperidin-1-yl)phthalazin-1-yl]benzenesulfonamide

Catalog ID
STK002324
SMILES Cc1ccc(cc1S(=O)(=O)NCc1nc2c([nH]1)cccc2)c1nnc(c2c1cccc2)N1CCCCC1

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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 C28H28N6O2S MW 512.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O2S/c1-19-13-14-20(17-25(19)37(35,36)29-18-26-30-23-11-5-6-12-24(23)31-26)27-21-9-3-4-10-22(21)28(33-32-27)34-15-7-2-8-16-34/h3-6,9-14,17,29H,2,7-8,15-16,18H2,1H3,(H,30,31)
InChIKey
KBCGARUWQCWYEO-UHFFFAOYSA-N
Synonyms
442648-18-2
442648182
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5
Cc1ccc(cc1S(=O)(=O)NCc1nc2c((nH)1)cccc2)c1nnc(c2c1cccc2)N1CCCCC1
InChI=1SC28H28N6O2Sc119131420(1725(19)37(3536)291826302311561224(23)3126)27219341022(21)28(333227)34157281634h369141729H278151618H21H3(H3031)
MFCD03288028
N((1Hbenzo(d)imidazol2yl)methyl)2methyl5(4(piperidin1yl)phthalazin1yl)benzenesulfonamide
N(1HBENZIMIDAZOL2YLMETHYL)2METHYL5(4(PIPERIDIN1YL)PHTHALAZIN1YL)BENZENESULFONAMIDE
N(1HBENZIMIDAZOL2YLMETHYL)2METHYL5(4PIPERIDIN1YLPHTHALAZIN1YL)BENZENESULFONAMIDE
STK002324
ZINC000001245304
ZINC1245304

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Available files

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