Vitas-M small molecule compound

(5E)-1-(4-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL047773
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\C2C(=NN(C2=O)c2ccccc2)C)/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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-3-31-17-11-9-15(10-12-17)26-21(29)19(20(28)24-23(26)32)13-18-14(2)25-27(22(18)30)16-7-5-4-6-8-16/h4-13,18H,3H2,1-2H3,(H,24,28,32)/b19-13+
InChIKey
ATJHOEXCCSPXCB-CPNJWEJPSA-N
Synonyms

(5E)1(4ethoxyphenyl)5((3methyl5oxo1phenyl45dihydro1Hpyrazol4yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(4ETHOXYPHENYL)5((3METHYL5OXO1PHENYL4HPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=CC2C(=NN(C2=O)c2ccccc2)C)C1=O)S
InChI=1SC23H20N4O4Sc13311711915(101217)2621(29)19(20(28)2423(26)32)131814(2)2527(22(18)30)167546816h41318H3H212H3(H242832)b1913+
MFCD03816752
ZINC000018208276
ZINC000100633235

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Available files

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