Vitas-M small molecule compound
N-(4-bromo-2-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
STL294488
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2C)Br)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 C22H22BrN3O2S2 MW 504.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2S2/c1-3-10-26-21(28)19-15-6-4-5-7-17(15)30-20(19)25-22(26)29-12-18(27)24-16-9-8-14(23)11-13(16)2/h3,8-9,11H,1,4-7,10,12H2,2H3,(H,24,27)InChIKey
LHRUIOGFJCXCEN-UHFFFAOYSA-NSynonyms
840512-02-92((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4bromo2methylphenyl)acetamide
840512029
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC22H22BrN3O2S2c13102621(28)1915645717(15)3020(19)2522(26)291218(27)24169814(23)1113(16)2h38911H1471012H22H3(H2427)
MFCD04009658
N(4bromo2methylphenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4bromo2methylphenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002265822
ZINC02265822
ZINC2265822
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