Vitas-M small molecule compound
N-(2,6-dibromo-4-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL054252
SMILES C=CCn1c(SCC(=O)Nc2c(Br)cc(cc2Br)C)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 C22H21Br2N3O2S2 MW 583.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Br2N3O2S2/c1-3-8-27-21(29)18-13-6-4-5-7-16(13)31-20(18)26-22(27)30-11-17(28)25-19-14(23)9-12(2)10-15(19)24/h3,9-10H,1,4-8,11H2,2H3,(H,25,28)InChIKey
PMSWDSINKRPNJX-UHFFFAOYSA-NSynonyms
2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(26dibromo4methylphenyl)acetamide
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C)Br
InChI=1SC22H21Br2N3O2S2c1382721(29)1813645716(13)3120(18)2622(27)301117(28)251914(23)912(2)1015(19)24h3910H14811H22H3(H2528)
MFCD04027829
N(26dibromo4methylphenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(26dibromo4methylphenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002554193
ZINC2554193
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