Vitas-M small molecule compound
[4-(2,3-dimethylphenyl)piperazin-1-yl]{3-[(5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl}methanone
Catalog ID
STL124822
SMILES O=C(c1ccc(c(c1)NC1=NC2C(S1)CS(=O)(=O)C2)C)N1CCN(CC1)c1cccc(c1C)C
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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 C25H30N4O3S2 MW 498.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3S2/c1-16-5-4-6-22(18(16)3)28-9-11-29(12-10-28)24(30)19-8-7-17(2)20(13-19)26-25-27-21-14-34(31,32)15-23(21)33-25/h4-8,13,21,23H,9-12,14-15H2,1-3H3,(H,26,27)InChIKey
PABGUKOGSMOLHP-UHFFFAOYSA-NSynonyms
(4(23dimethylphenyl)piperazin1yl)(3((55dioxido3a466atetrahydrothieno(34d)(13)thiazol2yl)amino)4methylphenyl)methanone
(4(23dimethylphenyl)piperazin1yl)(3((55dioxo3a466atetrahydrothieno(34d)(13)thiazol2yl)amino)4methylphenyl)methanone
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)NC4=NC5CS(=O)(=O)CC5S4)C
InChI=1SC25H30N4O3S2c11654622(18(16)3)2891129(121028)24(30)198717(2)20(1319)262527211434(3132)1523(21)3325h48132123H9121415H213H3(H2627)
MFCD20735716
ZINC000067240857
ZINC000067240869
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