Vitas-M small molecule compound
N-(4-bromo-2-methylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL354843
SMILES 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 C21H22BrN3O2S2 MW 492.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O2S2/c1-3-25-20(27)18-14-6-4-5-7-16(14)29-19(18)24-21(25)28-11-17(26)23-15-9-8-13(22)10-12(15)2/h8-10H,3-7,11H2,1-2H3,(H,23,26)InChIKey
AVROHHAQFISQOX-UHFFFAOYSA-NSynonyms
618879-72-4618879724
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)Br)C)SC4=C2CCCC4
InChI=1SC21H22BrN3O2S2c132520(27)1814645716(14)2919(18)2421(25)281117(26)23159813(22)1012(15)2h810H3711H212H3(H2326)
MFCD04011172
N(4bromo2methylphenyl)2((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4bromo2methylphenyl)2((3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(4bromo2methylphenyl)2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002373812
ZINC02373812
ZINC2373812
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