Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL354822
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2
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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 C21H21N3O4S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S2/c1-2-24-20(26)18-13-5-3-4-6-16(13)30-19(18)23-21(24)29-10-17(25)22-12-7-8-14-15(9-12)28-11-27-14/h7-9H,2-6,10-11H2,1H3,(H,22,25)InChIKey
CUAXKFDJWTWMAL-UHFFFAOYSA-NSynonyms
503432-54-0503432540
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)SC5=C2CCCC5
InChI=1SC21H21N3O4S2c122420(26)1813534616(13)3019(18)2321(24)291017(25)2212781415(912)28112714h79H261011H21H3(H2225)
MFCD03231071
N(13benzodioxol5yl)2((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(benzo(d)(13)dioxol5yl)2((3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000002399279
ZINC02399279
ZINC2399279
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