Vitas-M small molecule compound

2-(3-chloro-5-methoxy-4-{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
STK031496
SMILES C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OC)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 C29H29ClN2O5S MW 553.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O5S/c1-4-7-17-10-11-21(22(14-17)34-2)36-12-13-37-26-20(30)15-18(16-23(26)35-3)27-31-28(33)25-19-8-5-6-9-24(19)38-29(25)32-27/h4,10-11,14-16H,1,5-9,12-13H2,2-3H3,(H,31,32,33)
InChIKey
LQTVQWHWTVXUOS-UHFFFAOYSA-N
Synonyms

2(3chloro5methoxy4(2(2methoxy4(prop2en1yl)phenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5methoxy4(2(2methoxy4prop2enylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OC)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
COC1=C(C=CC(=C1)CC=C)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC29H29ClN2O5Sc14717101121(22(1417)342)361213372620(30)1518(1623(26)353)273128(33)2519856924(19)3829(25)3227h410111416H1591213H223H3(H313233)
MFCD03184208
STK031496
ZINC000100272784
ZINC100272784

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Available files

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