Vitas-M small molecule compound
(5E)-1-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368196
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)N(C1=S)c1ccccc1
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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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c1-2-33-21-14-12-20(13-15-21)30-26(32)23(16-18-17-28-24-11-7-6-10-22(18)24)25(31)29(27(30)34)19-8-4-3-5-9-19/h3-17,28H,2H2,1H3/b23-16+InChIKey
PEOLFHKLKNRZLQ-XQNSMLJCSA-NSynonyms
(5E)1(4ethoxyphenyl)5(1Hindol3ylmethylidene)3phenyl2sulfanylidene13diazinane46dione
(5E)1(4ethoxyphenyl)5(1Hindol3ylmethylidene)3phenyl2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)N(C2=S)C5=CC=CC=C5
CCOc1ccc(cc1)N1C(=O)C(=Cc2c(nH)c3c2cccc3)C(=O)N(C1=S)c1ccccc1
InChI=1SC27H21N3O3Sc123321141220(131521)3026(32)23(161817282411761022(18)24)25(31)29(27(30)34)198435919h31728H2H21H3b2316+
MFCD01803075
ZINC000038176254
ZINC38176254
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