Vitas-M small molecule compound

5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide

Catalog ID
STK012021
SMILES Cc1ccc(cc1S(=O)(=O)NC(C)(C)C)c1nnc(c2c1cccc2)Nc1ccc2c(c1)OCO2

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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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-16-9-10-17(13-23(16)35(31,32)30-26(2,3)4)24-19-7-5-6-8-20(19)25(29-28-24)27-18-11-12-21-22(14-18)34-15-33-21/h5-14,30H,15H2,1-4H3,(H,27,29)
InChIKey
ZBSYQBQWHYJBAC-UHFFFAOYSA-N
Synonyms
442648-94-4
442648944
5((4Z)4(13BENZODIOXOL5YLIMINO)34DIHYDROPHTHALAZIN1YL)NTERTBUTYL2METHYLBENZENESULFONAMIDE
5(4(13BENZODIOXOL5YLAMINO)PHTHALAZIN1YL)NTERTBUTYL2METHYLBENZENESULFONAMIDE
5(4(benzo(d)(13)dioxol5ylamino)phthalazin1yl)N(tertbutyl)2methylbenzenesulfonamide
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC(C)(C)C
Cc1ccc(cc1S(=O)(=O)NC(C)(C)C)c1nnc(c2c1cccc2)Nc1ccc2c(c1)OCO2
InChI=1SC26H26N4O4Sc11691017(1323(16)35(3132)3026(23)4)2419756820(19)25(292824)271811122122(1418)34153321h51430H15H214H3(H2729)
MFCD03286557
STK012021
ZINC02321141
ZINC2321141

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Available files

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