Vitas-M small molecule compound
6-butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Catalog ID
STK729776
SMILES CCCCOC(=O)C1=C(N)N2C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC)SC(C2=O)C
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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 C21H23N3O7S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7S/c1-4-5-10-31-21(27)15-14(12-6-8-13(9-7-12)24(28)29)16(20(26)30-3)19-23(17(15)22)18(25)11(2)32-19/h6-9,11,14H,4-5,10,22H2,1-3H3InChIKey
FIORJANDUNVVQZ-UHFFFAOYSA-NSynonyms
6butyl8methyl5amino2methyl7(4nitrophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
6OBUTYL8OMETHYL5AMINO2METHYL7(4NITROPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBOXYLATE
CCCCOC(=O)C1=C(N)N2C(=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OC)SC(C2=O)C
CCCCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC)C)N
InChI=1SC21H23N3O7Sc145103121(27)1514(126813(9712)24(28)29)16(20(26)303)1923(17(15)22)18(25)11(2)3219h691114H451022H213H3
MFCD03768073
ZINC000003624585
ZINC000003624592
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