Vitas-M small molecule compound
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL135183
SMILES O=C(N1CCN(CC1)Cc1ccccc1)CCc1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)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 C28H36N4O2S MW 492.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O2S/c1-28(2,3)20-9-10-21-22(17-20)35-27-25(21)26(34)29-23(30-27)11-12-24(33)32-15-13-31(14-16-32)18-19-7-5-4-6-8-19/h4-8,20H,9-18H2,1-3H3,(H,29,30,34)InChIKey
DOIDUXSXOYWIGM-UHFFFAOYSA-NSynonyms
2(3(4benzylpiperazin1yl)3oxopropyl)7tertbutyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3(4benzylpiperazin1yl)3oxopropyl)7tertbutyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)N4CCN(CC4)CC5=CC=CC=C5
InChI=1SC28H36N4O2Sc128(23)209102122(1720)352725(21)26(34)2923(3027)111224(33)32151331(141632)18197546819h4820H918H213H3(H293034)
MFCD20754172
O=C(N1CCN(CC1)Cc1ccccc1)CCc1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C(C)(C)C
ZINC000021882624
ZINC000021882625
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