Vitas-M small molecule compound
methyl 3-{[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-methoxy-1H-indole-2-carboxylate
Catalog ID
STK616498
SMILES COC(=O)c1[nH]c2c(c1NC=C1C(=O)N(C)C(=S)N(C1=O)C)ccc(c2)OC
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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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-21-15(23)11(16(24)22(2)18(21)28)8-19-13-10-6-5-9(26-3)7-12(10)20-14(13)17(25)27-4/h5-8,19-20H,1-4H3InChIKey
RDPDKMIKQJWTFT-UHFFFAOYSA-NSynonyms
CN1C(=O)C(=CNC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C(=O)N(C1=S)C
COC(=O)c1(nH)c2c(c1NC=C1C(=O)N(C)C(=S)N(C1=O)C)ccc(c2)OC
InChI=1SC18H18N4O5Sc12115(23)11(16(24)22(2)18(21)28)8191310659(263)712(10)2014(13)17(25)274h581920H14H3
methyl3(((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)6methoxy1Hindole2carboxylate
methyl3((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methylamino)6methoxy1Hindole2carboxylate
MFCD08745051
ZINC000013625688
ZINC13625688
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