Vitas-M small molecule compound
(5E)-5-[(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL417106
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)C2CC2)C)/C1=O
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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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-4-28-18-9-7-17(8-10-18)25-21(27)19(20(26)23-22(25)29)12-15-11-13(2)24(14(15)3)16-5-6-16/h7-12,16H,4-6H2,1-3H3,(H,23,26,29)/b19-12+InChIKey
LNENSOMXLXRKCT-XDHOZWIPSA-NSynonyms
(5E)5((1cyclopropyl25dimethyl1Hpyrrol3yl)methylidene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1cyclopropyl25dimethylpyrrol3yl)methylidene)1(4ethoxyphenyl)2sulfanylidene13diazinane46dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4CC4)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CC2)C)C1=O
InChI=1SC22H23N3O3Sc1428189717(81018)2521(27)19(20(26)2322(25)29)12151113(2)24(14(15)3)165616h71216H46H213H3(H232629)b1912+
MFCD03083658
ZINC000220968137
ZINC220968137
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