Vitas-M small molecule compound
ethyl 4-[3-(2-methylpropyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
Catalog ID
STK631422
SMILES CCOC(=O)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 C21H30N4O3S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O3S/c1-4-28-21(27)24-11-9-23(10-12-24)20-22-18-17(19(26)25(20)13-14(2)3)15-7-5-6-8-16(15)29-18/h14H,4-13H2,1-3H3InChIKey
DISUWVUAAXLSNO-UHFFFAOYSA-NSynonyms
1010883-67-61010883676
CCOC(=O)N1CCN(CC1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC(C)C
ethyl4(3(2methylpropyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)piperazine1carboxylate
ethyl4(3(2methylpropyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)piperazine1carboxylate
ethyl4(3isobutyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carboxylate
InChI=1SC21H30N4O3Sc142821(27)2411923(101224)20221817(19(26)25(20)1314(2)3)15756816(15)2918h14H413H213H3
MFCD12204364
ZINC000012408827
ZINC12408827
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