Vitas-M small molecule compound
4-[4-oxo-3-(propan-2-yl)-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
STK637070
SMILES C=CCNC(=S)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C(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 C21H29N5OS2 MW 431.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5OS2/c1-4-9-22-21(28)25-12-10-24(11-13-25)20-23-18-17(19(27)26(20)14(2)3)15-7-5-6-8-16(15)29-18/h4,14H,1,5-13H2,2-3H3,(H,22,28)InChIKey
GVAOIAHCNMJUNO-UHFFFAOYSA-NSynonyms
1010931-50-61010931506
4(4oxo3(propan2yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)N(prop2en1yl)piperazine1carbothioamide
4(4oxo3propan2yl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)Nprop2enylpiperazine1carbothioamide
CC(C)N1C(=O)C2=C(N=C1N3CCN(CC3)C(=S)NCC=C)SC4=C2CCCC4
InChI=1SC21H29N5OS2c1492221(28)25121024(111325)20231817(19(27)26(20)14(2)3)15756816(15)2918h414H1513H223H3(H2228)
MFCD12199106
Nallyl4(3isopropyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carbothioamide
ZINC000012321223
ZINC12321223
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