Vitas-M small molecule compound

N-(2-hydroxyethyl)-N,2-dimethyl-5-{3-[(methylsulfanyl)methyl][1,2,4]triazolo[3,4-a]phthalazin-6-yl}benzenesulfonamide

Catalog ID
STK796535
SMILES CSCc1nnc2n1nc(c1ccc(c(c1)S(=O)(=O)N(CCO)C)C)c1c2cccc1

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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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-14-8-9-15(12-18(14)31(28,29)25(2)10-11-27)20-16-6-4-5-7-17(16)21-23-22-19(13-30-3)26(21)24-20/h4-9,12,27H,10-11,13H2,1-3H3
InChIKey
URPXCNIKDHCNMZ-UHFFFAOYSA-N
Synonyms
900878-70-8
900878708
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CSC)S(=O)(=O)N(C)CCO
InChI=1SC21H23N5O3S2c1148915(1218(14)31(2829)25(2)101127)2016645717(16)21232219(13303)26(21)2420h491227H101113H213H3
MFCD06776139
N(2hydroxyethyl)N2dimethyl5(3((methylsulfanyl)methyl)(124)triazolo(34a)phthalazin6yl)benzenesulfonamide
N(2hydroxyethyl)N2dimethyl5(3((methylthio)methyl)(124)triazolo(34a)phthalazin6yl)benzenesulfonamide
N(2HYDROXYETHYL)N2DIMETHYL5(3(METHYLSULFANYLMETHYL)(124)TRIAZOLO(34A)PHTHALAZIN6YL)BENZENESULFONAMIDE
ZINC000009452764
ZINC09452764
ZINC9452764

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Available files

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