Vitas-M small molecule compound

2-ethoxy-4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl 4-fluorobenzoate

Catalog ID
STK383860
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)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 C30H33FN2O4S MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33FN2O4S/c1-5-30(3,4)19-10-13-21-24(16-19)38-28-25(21)27(34)32-26(33-28)18-9-14-22(23(15-18)36-6-2)37-29(35)17-7-11-20(31)12-8-17/h7-9,11-12,14-15,19,26,33H,5-6,10,13,16H2,1-4H3,(H,32,34)
InChIKey
OAUJCIKVZKNBFN-UHFFFAOYSA-N
Synonyms

(2ethoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4fluorobenzoate
2ethoxy4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4fluorobenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)F)OCC
InChI=1SC30H33FN2O4Sc1530(34)1910132124(1619)382825(21)27(34)3226(3328)1891422(23(1518)3662)3729(35)1771120(31)12817h7911121415192633H56101316H214H3(H3234)
MFCD03848755
ZINC000100913827
ZINC000100913831

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Available files

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