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 thiophene-2-carboxylate

Catalog ID
STK383863
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)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 C28H32N2O4S2 MW 524.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4S2/c1-5-28(3,4)17-10-11-18-22(15-17)36-26-23(18)25(31)29-24(30-26)16-9-12-19(20(14-16)33-6-2)34-27(32)21-8-7-13-35-21/h7-9,12-14,17,24,30H,5-6,10-11,15H2,1-4H3,(H,29,31)
InChIKey
NXJPNYYLNOTJHK-UHFFFAOYSA-N
Synonyms

(2ethoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)thiophene2carboxylate
2ethoxy4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CS5)OCC
InChI=1SC28H32N2O4S2c1528(34)1710111822(1517)362623(18)25(31)2924(3026)1691219(20(1416)3362)3427(32)2187133521h791214172430H56101115H214H3(H2931)
MFCD03848756
ZINC000008919771
ZINC000008919794

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Available files

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