Vitas-M small molecule compound
3-{[(E)-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK674564
SMILES CCOc1cc(/C=N/n2cnc3c(c2=O)c2CCCCc2s3)cc(c1OCc1ccc(cc1)Cl)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 C26H23BrClN3O3S MW 572.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrClN3O3S/c1-2-33-21-12-17(11-20(27)24(21)34-14-16-7-9-18(28)10-8-16)13-30-31-15-29-25-23(26(31)32)19-5-3-4-6-22(19)35-25/h7-13,15H,2-6,14H2,1H3/b30-13+InChIKey
UUXRJXBXJSOMOH-VVEOGCPPSA-NSynonyms
3(((E)(3bromo4((4chlorobenzyl)oxy)5ethoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3bromo4((4chlorophenyl)methoxy)5ethoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C(=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br)OCC5=CC=C(C=C5)Cl
CCOc1cc(C=Nn2cnc3c(c2=O)c2CCCCc2s3)cc(c1OCc1ccc(cc1)Cl)Br
InChI=1SC26H23BrClN3O3Sc1233211217(1120(27)24(21)3414167918(28)10816)13303115292523(26(31)32)19534622(19)3525h71315H2614H21H3b3013+
MFCD01459942
ZINC000002190352
ZINC2190351
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