Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-(4-bromobenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
Catalog ID
STK207246
SMILES Brc1ccc(cc1)Cn1n(c2nc3c(s2)cccc3)c(=O)c2c1cc(=O)n(c2C)Cc1ccc2c(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 C29H21BrN4O4S MW 601.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN4O4S/c1-17-27-22(13-26(35)32(17)14-19-8-11-23-24(12-19)38-16-37-23)33(15-18-6-9-20(30)10-7-18)34(28(27)36)29-31-21-4-2-3-5-25(21)39-29/h2-13H,14-16H2,1H3InChIKey
HDHBARHNKHAYMK-UHFFFAOYSA-NSynonyms
5(13benzodioxol5ylmethyl)2(13benzothiazol2yl)1((4bromophenyl)methyl)4methylpyrazolo(43c)pyridine36dione
5(13benzodioxol5ylmethyl)2(13benzothiazol2yl)1(4bromobenzyl)4methyl1Hpyrazolo(43c)pyridine36(2H5H)dione
5(2HBENZO(34D)13DIOXOLAN5YLMETHYL)2BENZOTHIAZOL2YL1((4BROMOPHENYL)METHYL)4METHYL5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONE
CC1=C2C(=CC(=O)N1CC3=CC4=C(C=C3)OCO4)N(N(C2=O)C5=NC6=CC=CC=C6S5)CC7=CC=C(C=C7)Br
InChI=1SC29H21BrN4O4Sc1172722(1326(35)32(17)14198112324(1219)38163723)33(15186920(30)10718)34(28(27)36)293121423525(21)3929h213H1416H21H3
MFCD06754426
ZINC000097948741
ZINC97948741
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