Vitas-M small molecule compound
4-(3-ethyl-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
STK641708
SMILES C=CCNC(=S)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1CC)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 C20H27N5OS2 MW 417.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5OS2/c1-3-9-21-20(27)24-12-10-23(11-13-24)19-22-17-16(18(26)25(19)4-2)14-7-5-6-8-15(14)28-17/h3H,1,4-13H2,2H3,(H,21,27)InChIKey
OWCHZRYJWWLCMI-UHFFFAOYSA-NSynonyms
1010870-55-91010870559
4(3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)N(prop2en1yl)piperazine1carbothioamide
4(3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)Nprop2enylpiperazine1carbothioamide
CCN1C(=O)C2=C(N=C1N3CCN(CC3)C(=S)NCC=C)SC4=C2CCCC4
InChI=1SC20H27N5OS2c1392120(27)24121023(111324)19221716(18(26)25(19)42)14756815(14)2817h3H1413H22H3(H2127)
MFCD12205058
Nallyl4(3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carbothioamide
ZINC000012409875
ZINC12409875
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