Vitas-M small molecule compound
methyl 3-{[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-methoxy-1H-indole-2-carboxylate
Catalog ID
STK612665
SMILES COC(=O)c1[nH]c2c(c1NC=C1C(=O)N(C)C(=S)N(C1=O)C)c(OC)ccc2
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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)9(16(24)22(2)18(21)28)8-19-13-12-10(6-5-7-11(12)26-3)20-14(13)17(25)27-4/h5-8,19-20H,1-4H3InChIKey
UMBOTLIFTUIYRT-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)c(OC)ccc2
InChI=1SC18H18N4O5Sc12115(23)9(16(24)22(2)18(21)28)819131210(65711(12)263)2014(13)17(25)274h581920H14H3
methyl3(((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4methoxy1Hindole2carboxylate
methyl3((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methylamino)4methoxy1Hindole2carboxylate
MFCD08747518
ZINC000009306185
ZINC09306185
ZINC9306185
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