Vitas-M small molecule compound
{[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK526448
SMILES OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C23H26N2O3S2 MW 442.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3S2/c1-13-5-8-15(9-6-13)25-21(28)19-16-10-7-14(23(2,3)4)11-17(16)30-20(19)24-22(25)29-12-18(26)27/h5-6,8-9,14H,7,10-12H2,1-4H3,(H,26,27)InChIKey
HNTHZESXVOYZPG-UHFFFAOYSA-NSynonyms
374092-53-2((7tertbutyl3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((7(tertbutyl)4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
2((7tertbutyl3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
374092532
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCC(C4)C(C)(C)C
InChI=1SC23H26N2O3S2c1135815(9613)2521(28)191610714(23(23)4)1117(16)3020(19)2422(25)291218(26)27h568914H71012H214H3(H2627)
MFCD01951062
ZINC000002283167
ZINC000002283168
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