Vitas-M small molecule compound
5-methyl-4-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
Catalog ID
STK678231
SMILES Cc1ccc2c(c1S(=O)(=O)N1CCN(CC1)C13CC4CC(C3)CC(C1)C4)nsn2
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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 C21H28N4O2S2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3InChIKey
ZYMOPYQZMQNHRK-UHFFFAOYSA-NSynonyms
4((4ADAMANTANYLPIPERAZINYL)SULFONYL)5METHYLBENZO(C)125THIADIAZOLE
4(4(1ADAMANTYL)PIPERAZIN1YL)SULFONYL5METHYL213BENZOTHIADIAZOLE
5methyl4((4(tricyclo(3311~37~)dec1yl)piperazin1yl)sulfonyl)213benzothiadiazole
CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5
InChI=1SC21H28N4O2S2c114231819(23282218)20(14)29(2627)256424(5725)211115816(1221)1017(915)1321h231517H413H21H3
MFCD03034246
ZINC000008867201
ZINC8867201
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