Vitas-M small molecule compound
methyl (3-{(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK620024
SMILES CCOc1cccc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)OC)/C1=O)S
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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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-3-32-17-8-6-7-16(12-17)27-23(30)19(22(29)25-24(27)33)11-15-13-26(14-21(28)31-2)20-10-5-4-9-18(15)20/h4-13H,3,14H2,1-2H3,(H,25,29,33)/b19-11+InChIKey
RFDCLXPXCCDIHW-YBFXNURJSA-NSynonyms
348577-61-7348577617
CCOc1cccc(c1)N1C(=NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)OC)C1=O)S
InChI=1SC24H21N3O5Sc13321786716(1217)2723(30)19(22(29)2524(27)33)11151326(1421(28)312)201054918(15)20h413H314H212H3(H252933)b1911+
methyl(3((E)(1(3ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((E)(1(3ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD09794107
ZINC000001220398
ZINC1220398
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