Vitas-M small molecule compound
3-{[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK804877
SMILES COc1cc(OC)c(cc1/C=N/n1cnc2c(c1=O)c1CCCCc1s2)Br
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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 C19H18BrN3O3S MW 448.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O3S/c1-25-14-8-15(26-2)13(20)7-11(14)9-22-23-10-21-18-17(19(23)24)12-5-3-4-6-16(12)27-18/h7-10H,3-6H2,1-2H3/b22-9+InChIKey
ODLORVASSXJCIJ-LSFURLLWSA-NSynonyms
357176-45-5(E)3((5bromo24dimethoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(5bromo24dimethoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5bromo24dimethoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
357176455
COC1=CC(=C(C=C1C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br)OC
COc1cc(OC)c(cc1C=Nn1cnc2c(c1=O)c1CCCCc1s2)Br
InChI=1SC19H18BrN3O3Sc12514815(262)13(20)711(14)9222310211817(19(23)24)12534616(12)2718h710H36H212H3b229+
MFCD01133455
ZINC000009334868
ZINC2312137
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