Vitas-M small molecule compound

methyl 2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate

Catalog ID
STK539717
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)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 C23H26N2O5S2 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5S2/c1-12(2)17-10-16-18(11-30-17)32-20-19(16)21(26)25(14-6-8-15(28-4)9-7-14)23(24-20)31-13(3)22(27)29-5/h6-9,12-13,17H,10-11H2,1-5H3
InChIKey
NRLWNLRENGDLEJ-UHFFFAOYSA-N
Synonyms
385386-42-5
385386425
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C)C(=O)OC)C4=CC=C(C=C4)OC
InChI=1SC23H26N2O5S2c112(2)17101618(113017)322019(16)21(26)25(146815(284)9714)23(2420)3113(3)22(27)295h69121317H1011H215H3
methyl2((3(4methoxyphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((3(4methoxyphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
methyl2((6isopropyl3(4methoxyphenyl)4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD03285467
ZINC000001247801
ZINC000009216434

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Available files

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