Vitas-M small molecule compound
3-{[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL372293
SMILES CCCOc1c(Br)cc(cc1OCC)/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 C22H24BrN3O3S MW 490.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN3O3S/c1-3-9-29-20-16(23)10-14(11-17(20)28-4-2)12-25-26-13-24-21-19(22(26)27)15-7-5-6-8-18(15)30-21/h10-13H,3-9H2,1-2H3/b25-12+InChIKey
YXHRQOLJCZEAOK-BRJLIKDPSA-NSynonyms
3(((E)(3bromo5ethoxy4propoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3bromo5ethoxy4propoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCOC1=C(C=C(C=C1Br)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OCC
CCCOc1c(Br)cc(cc1OCC)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC22H24BrN3O3Sc139292016(23)1014(1117(20)2842)12252613242119(22(26)27)15756818(15)3021h1013H39H212H3b2512+
MFCD03146277
ZINC000002996471
ZINC2996470
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