Vitas-M small molecule compound
N-(2-bromo-4,6-difluorophenyl)-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
STL294502
SMILES C=CCn1c(SCC(=O)Nc2c(F)cc(cc2Br)F)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 C21H18BrF2N3O2S2 MW 526.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrF2N3O2S2/c1-2-7-27-20(29)17-12-5-3-4-6-15(12)31-19(17)26-21(27)30-10-16(28)25-18-13(22)8-11(23)9-14(18)24/h2,8-9H,1,3-7,10H2,(H,25,28)InChIKey
DVDIISYNXPGQFA-UHFFFAOYSA-NSynonyms
579443-60-02((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2bromo46difluorophenyl)acetamide
579443600
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3Br)F)F)SC4=C2CCCC4
InChI=1SC21H18BrF2N3O2S2c1272720(29)1712534615(12)3119(17)2621(27)301016(28)251813(22)811(23)914(18)24h289H13710H2(H2528)
MFCD04032824
N(2bromo46difluorophenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2bromo46difluorophenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002396288
ZINC2396288
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