Vitas-M small molecule compound
2-{3-chloro-5-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK099102
SMILES COc1cc(cc(c1OCCSc1ccccc1)Cl)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)C
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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 C26H25ClN2O3S2 MW 513.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O3S2/c1-15-8-9-18-21(12-15)34-26-22(18)25(30)28-24(29-26)16-13-19(27)23(20(14-16)31-2)32-10-11-33-17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3,(H,28,29,30)InChIKey
MHROHKVJYOFUIQ-UHFFFAOYSA-NSynonyms
2(3chloro5methoxy4(2(phenylsulfanyl)ethoxy)phenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5methoxy4(2phenylsulfanylethoxy)phenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Cl)OCCSC5=CC=CC=C5)OC
COc1cc(cc(c1OCCSc1ccccc1)Cl)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC26H25ClN2O3S2c115891821(1215)342622(18)25(30)2824(2926)161319(27)23(20(1416)312)32101133176435717h371315H812H212H3(H282930)
MFCD03570600
STK099102
ZINC000009762209
ZINC000009762210
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