Vitas-M small molecule compound
3-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Catalog ID
STL309422
SMILES COc1cc2c(cc1OC)c1c(n2C)c(=O)n(nc1)CN1CCN(CC1)C1CCS(=O)(=O)C1
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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 C22H29N5O5S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O5S/c1-24-18-11-20(32-3)19(31-2)10-16(18)17-12-23-27(22(28)21(17)24)14-25-5-7-26(8-6-25)15-4-9-33(29,30)13-15/h10-12,15H,4-9,13-14H2,1-3H3InChIKey
RTDFJZOLYHOFOW-UHFFFAOYSA-NSynonyms
1436004-16-81436004168
3((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)78dimethoxy5methyl35dihydro4Hpyridazino(45b)indol4one
3((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)78dimethoxy5methyl3Hpyridazino(45b)indol4(5H)one
3((4(11dioxothiolan3yl)piperazin1yl)methyl)78dimethoxy5methylpyridazino(45b)indol4one
CN1C2=CC(=C(C=C2C3=C1C(=O)N(N=C3)CN4CCN(CC4)C5CCS(=O)(=O)C5)OC)OC
InChI=1SC22H29N5O5Sc124181120(323)19(312)1016(18)17122327(22(28)21(17)24)14255726(8625)154933(2930)1315h101215H491314H213H3
MFCD23139240
ZINC000095472565
ZINC000095472566
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