Vitas-M small molecule compound
4-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenyl thiophene-2-carboxylate
Catalog ID
STK393917
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)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 C30H22N2O5S2 MW 554.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O5S2/c1-2-36-25-19-20(15-16-24(25)37-29(35)26-14-9-17-39-26)18-23-27(33)31(21-10-5-3-6-11-21)30(38)32(28(23)34)22-12-7-4-8-13-22/h3-19H,2H2,1H3InChIKey
KDKOYOXUBDNBJU-UHFFFAOYSA-NSynonyms
(4((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENYL)THIOPHENE2CARBOXYLATE
4((46DIOXO13DIPHENYL2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2ETHOXYPHENYLTHIOPHENE2CARBOXYLATE
4((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2ethoxyphenylthiophene2carboxylate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5
CCOc1cc(ccc1OC(=O)c1cccs1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
InChI=1SC30H22N2O5S2c1236251920(151624(25)3729(35)26149173926)182327(33)31(21105361121)30(38)32(28(23)34)22127481322h319H2H21H3
MFCD03834662
ZINC000101093413
ZINC101093413
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