Vitas-M small molecule compound
N-(4-bromophenyl)-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
STK804372
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)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 C21H20BrN3O2S2 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O2S2/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)29-19(18)24-21(25)28-12-17(26)23-14-9-7-13(22)8-10-14/h2,7-10H,1,3-6,11-12H2,(H,23,26)InChIKey
NNLDVNOZDFFTIP-UHFFFAOYSA-NSynonyms
401828-12-42((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4bromophenyl)acetamide
401828124
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)Br)SC4=C2CCCC4
InChI=1SC21H20BrN3O2S2c12112520(27)1815534616(15)2919(18)2421(25)281217(26)23149713(22)81014h2710H1361112H2(H2326)
MFCD02315748
N(4bromophenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4bromophenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002308135
ZINC02308135
ZINC2308135
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