Vitas-M small molecule compound
methyl 3-hydroxy-5-(5-methyl-6-oxo-5,6-dihydropyrido[2,3-b][1,4]benzothiazepin-8-yl)-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL493999
SMILES COC(=O)c1cn(cc2c1nnc2O)c1ccc2c(c1)C(=O)N(C)c1c(S2)nccc1
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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 C21H15N5O4S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O4S/c1-25-15-4-3-7-22-19(15)31-16-6-5-11(8-12(16)20(25)28)26-9-13-17(23-24-18(13)27)14(10-26)21(29)30-2/h3-10H,1-2H3,(H,24,27)InChIKey
ACMZSJUBMYFCPP-UHFFFAOYSA-NSynonyms
CN1C2=C(N=CC=C2)SC3=C(C1=O)C=C(C=C3)N4C=C5C(=NNC5=O)C(=C4)C(=O)OC
InChI=1SC21H15N5O4Sc125154372219(15)31166511(812(16)20(25)28)2691317(232418(13)27)14(1026)21(29)302h310H12H3(H2427)
methyl3hydroxy5(5methyl6oxo56dihydropyrido(23b)(14)benzothiazepin8yl)5Hpyrazolo(43c)pyridine7carboxylate
methyl5(5methyl6oxopyrido(23b)(14)benzothiazepin8yl)3oxo2Hpyrazolo(43c)pyridine7carboxylate
MFCD30716127
ZINC000253394425
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