Vitas-M small molecule compound
4-[3-(2-methylpropyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Catalog ID
STK645953
SMILES C=CCNC(=S)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1CC(C)C)CCCC3
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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 C22H31N5OS2 MW 445.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5OS2/c1-4-9-23-22(29)26-12-10-25(11-13-26)21-24-19-18(20(28)27(21)14-15(2)3)16-7-5-6-8-17(16)30-19/h4,15H,1,5-14H2,2-3H3,(H,23,29)InChIKey
FEBARZCJAOCOHF-UHFFFAOYSA-NSynonyms
1010886-35-71010886357
4(3(2methylpropyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)N(prop2en1yl)piperazine1carbothioamide
4(3(2methylpropyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)Nprop2enylpiperazine1carbothioamide
CC(C)CN1C(=O)C2=C(N=C1N3CCN(CC3)C(=S)NCC=C)SC4=C2CCCC4
InChI=1SC22H31N5OS2c1492322(29)26121025(111326)21241918(20(28)27(21)1415(2)3)16756817(16)3019h415H1514H223H3(H2329)
MFCD12204866
Nallyl4(3isobutyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carbothioamide
ZINC000012409615
ZINC12409615
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