Vitas-M small molecule compound
2-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL135175
SMILES CC1CCc2c(C1)sc1c2c(=O)[nH]c(n1)CCC(=O)N1CCN(CC1)c1cc(C)ccc1C
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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 C26H32N4O2S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2S/c1-16-4-6-18(3)20(14-16)29-10-12-30(13-11-29)23(31)9-8-22-27-25(32)24-19-7-5-17(2)15-21(19)33-26(24)28-22/h4,6,14,17H,5,7-13,15H2,1-3H3,(H,27,28,32)InChIKey
LEOANPFXRLVAMA-UHFFFAOYSA-NSynonyms
2(3(4(25dimethylphenyl)piperazin1yl)3oxopropyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3(4(25dimethylphenyl)piperazin1yl)3oxopropyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C
CC1CCc2c(C1)sc1c2c(=O)(nH)c(n1)CCC(=O)N1CCN(CC1)c1cc(C)ccc1C
InChI=1SC26H32N4O2Sc1164618(3)20(1416)29101230(131129)23(31)98222725(32)24197517(2)1521(19)3326(24)2822h461417H571315H213H3(H272832)
MFCD20754166
ZINC000021882443
ZINC000021882444
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