Vitas-M small molecule compound
2-({2-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK767651
SMILES O=C1N(CC2c3ccccc3CCN2S(=O)(=O)c2c(C)ccc3c2nsn3)C(=O)c2c1cccc2
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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 C25H20N4O4S2 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S2/c1-15-10-11-20-22(27-34-26-20)23(15)35(32,33)29-13-12-16-6-2-3-7-17(16)21(29)14-28-24(30)18-8-4-5-9-19(18)25(28)31/h2-11,21H,12-14H2,1H3InChIKey
BUPPLBRXWALTCE-UHFFFAOYSA-NSynonyms
2((2((5methyl213benzothiadiazol4yl)sulfonyl)1234tetrahydroisoquinolin1yl)methyl)1Hisoindole13(2H)dione
2((2((5METHYL213BENZOTHIADIAZOL4YL)SULFONYL)34DIHYDRO1HISOQUINOLIN1YL)METHYL)ISOINDOLE13DIONE
CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC25H20N4O4S2c11510112022(27342620)23(15)35(3233)29131216623717(16)21(29)142824(30)18845919(18)25(28)31h21121H1214H21H3
MFCD03034865
ZINC000001087941
ZINC000001087943
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