Vitas-M small molecule compound
7-tert-butyl-2-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL135185
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)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 C28H36N4O3S MW 508.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O3S/c1-28(2,3)18-8-9-21-22(16-18)36-27-25(21)26(34)29-23(30-27)10-11-24(33)32-14-12-31(13-15-32)19-6-5-7-20(17-19)35-4/h5-7,17-18H,8-16H2,1-4H3,(H,29,30,34)InChIKey
CWTGTJIYNQKMHQ-UHFFFAOYSA-NSynonyms
7tertbutyl2(3(4(3methoxyphenyl)piperazin1yl)3oxopropyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(3(4(3methoxyphenyl)piperazin1yl)3oxopropyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)N4CCN(CC4)C5=CC(=CC=C5)OC
COc1cccc(c1)N1CCN(CC1)C(=O)CCc1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C(C)(C)C
InChI=1SC28H36N4O3Sc128(23)18892122(1618)362725(21)26(34)2923(3027)101124(33)32141231(131532)1965720(1719)354h571718H816H214H3(H293034)
MFCD20754173
ZINC000021882632
ZINC000021882633
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