Vitas-M small molecule compound

ethyl 2-[({[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK285478
SMILES CCOC(=O)c1c(NC(=O)CSc2[nH]c(=O)c(c(n2)c2ccc(cc2)OC)C#N)sc2c1CCC2

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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 C24H22N4O5S2 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S2/c1-3-33-23(31)19-15-5-4-6-17(15)35-22(19)26-18(29)12-34-24-27-20(16(11-25)21(30)28-24)13-7-9-14(32-2)10-8-13/h7-10H,3-6,12H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKey
ISOPVVOHFRCSMD-UHFFFAOYSA-N
Synonyms
404910-37-8
404910378
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)OC)C#N
CCOC(=O)c1c(NC(=O)CSc2(nH)c(=O)c(c(n2)c2ccc(cc2)OC)C#N)sc2c1CCC2
ethyl2((((5cyano4(4methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((2((5cyano6(4methoxyphenyl)4oxo1Hpyrimidin2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC24H22N4O5S2c133323(31)191554617(15)3522(19)2618(29)1234242720(16(1125)21(30)2824)137914(322)10813h710H3612H212H3(H2629)(H272830)
MFCD02042172
ZINC000013942935
ZINC13942935

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Available files

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