Vitas-M small molecule compound
3-({(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL296536
SMILES C=CCOc1c(Br)cc(cc1OC)/C=N/n1cnc2c(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 C21H20BrN3O3S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3S/c1-3-8-28-19-15(22)9-13(10-16(19)27-2)11-24-25-12-23-20-18(21(25)26)14-6-4-5-7-17(14)29-20/h3,9-12H,1,4-8H2,2H3/b24-11+InChIKey
UNRVYSMUTVHBGR-BHGWPJFGSA-NSynonyms
357176-22-8(E)3((4(allyloxy)3bromo5methoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(3bromo5methoxy4(prop2en1yloxy)phenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3bromo5methoxy4prop2enoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
357176228
C=CCOc1c(Br)cc(cc1OC)C=Nn1cnc2c(c1=O)c1CCCCc1s2
COC1=C(C(=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br)OCC=C
InChI=1SC21H20BrN3O3Sc138281915(22)913(1016(19)272)11242512232018(21(25)26)14645717(14)2920h3912H148H22H3b2411+
MFCD01133434
ZINC000002310578
ZINC2310577
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