Vitas-M small molecule compound
ethyl 4-(3-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
Catalog ID
STK646720
SMILES CCCCn1c(nc2c(c1=O)c1CCCCc1s2)N1CCN(CC1)C(=O)OCC
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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/c1-3-5-10-25-19(26)17-15-8-6-7-9-16(15)29-18(17)22-20(25)23-11-13-24(14-12-23)21(27)28-4-2/h3-14H2,1-2H3InChIKey
ACUBGGUSHRKLLV-UHFFFAOYSA-NSynonyms
1010931-31-31010931313
CCCCN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)OCC)SC4=C2CCCC4
ethyl4(3butyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)piperazine1carboxylate
ethyl4(3butyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carboxylate
ethyl4(3butyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)piperazine1carboxylate
InChI=1SC21H30N4O3Sc135102519(26)1715867916(15)2918(17)2220(25)23111324(141223)21(27)2842h314H212H3
MFCD12199097
ZINC000012321212
ZINC12321212
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