Vitas-M small molecule compound
7-tert-butyl-3-(4-methoxyphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK831015
SMILES COc1ccc(cc1)n1c(S)nc2c(c1=O)c1CCC(Cc1s2)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 C21H24N2O2S2 MW 400.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2S2/c1-21(2,3)12-5-10-15-16(11-12)27-18-17(15)19(24)23(20(26)22-18)13-6-8-14(25-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,22,26)InChIKey
DGYHWFLBWROYSJ-UHFFFAOYSA-NSynonyms
351005-82-8351005828
7(tertbutyl)2mercapto3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
7tertbutyl3(4methoxyphenyl)2sulfanyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl3(4methoxyphenyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=C(C=C4)OC
InChI=1SC21H24N2O2S2c121(23)125101516(1112)271817(15)19(24)23(20(26)2218)136814(254)9713h6912H51011H214H3(H2226)
MFCD01954407
ZINC000002287077
ZINC000002287078
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