Vitas-M small molecule compound
2-(3-chloro-5-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK712049
SMILES CCOc1cc(cc(c1OCCOc1ccccc1CC=C)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C29H29ClN2O4S MW 537.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O4S/c1-3-9-18-10-5-7-12-22(18)35-14-15-36-26-21(30)16-19(17-23(26)34-4-2)27-31-28(33)25-20-11-6-8-13-24(20)37-29(25)32-27/h3,5,7,10,12,16-17H,1,4,6,8-9,11,13-15H2,2H3,(H,31,32,33)InChIKey
RSYGHEQKMBMNNM-UHFFFAOYSA-NSynonyms
2(3chloro5ethoxy4(2(2(prop2en1yl)phenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5ethoxy4(2(2prop2enylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(4(2(2allylphenoxy)ethoxy)3chloro5ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCOC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Cl)OCCOC5=CC=CC=C5CC=C
CCOc1cc(cc(c1OCCOc1ccccc1CC=C)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC29H29ClN2O4Sc1391810571222(18)351415362621(30)1619(1723(26)3442)273128(33)252011681324(20)3729(25)3227h35710121617H14689111315H22H3(H313233)
MFCD02241398
ZINC000002298930
ZINC2298930
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