Vitas-M small molecule compound
2-(3-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK014100
SMILES C=CCc1ccc(c(c1)OC)OCCOc1cccc(c1)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 C28H28N2O4S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S/c1-3-7-18-12-13-22(23(16-18)32-2)34-15-14-33-20-9-6-8-19(17-20)26-29-27(31)25-21-10-4-5-11-24(21)35-28(25)30-26/h3,6,8-9,12-13,16-17H,1,4-5,7,10-11,14-15H2,2H3,(H,29,30,31)InChIKey
BUHRYTDKPVHIPA-UHFFFAOYSA-NSynonyms
2(3(2(2methoxy4(prop2en1yl)phenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3(2(2methoxy4prop2enylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C=CCc1ccc(c(c1)OC)OCCOc1cccc(c1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
COC1=C(C=CC(=C1)CC=C)OCCOC2=CC=CC(=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI=1SC28H28N2O4Sc13718121322(23(1618)322)341514332096819(1720)262927(31)252110451124(21)3528(25)3026h368912131617H145710111415H22H3(H293031)
MFCD03136648
STK014100
ZINC000002452373
ZINC02452373
ZINC2452373
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