Vitas-M small molecule compound
methyl 7-methyl-2-[(4-nitrobenzyl)sulfanyl]-4-oxo-5-(pyridin-3-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980969
SMILES COC(=O)C1=C(C)Nc2c(C1c1cccnc1)c(=O)[nH]c(n2)SCc1ccc(cc1)[N+](=O)[O-]
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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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c1-12-16(21(29)32-2)17(14-4-3-9-23-10-14)18-19(24-12)25-22(26-20(18)28)33-11-13-5-7-15(8-6-13)27(30)31/h3-10,17H,11H2,1-2H3,(H2,24,25,26,28)InChIKey
BRNZLKMTTYREOE-UHFFFAOYSA-NSynonyms
537663-58-4537663584
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CN=CC=C4)C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1cccnc1)c(=O)(nH)c(n2)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H19N5O5Sc11216(21(29)322)17(14439231014)1819(2412)2522(2620(18)28)3311135715(8613)27(30)31h31017H11H212H3(H224252628)
methyl7methyl2((4nitrobenzyl)sulfanyl)4oxo5(pyridin3yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL7METHYL2((4NITROPHENYL)METHYLSULFANYL)4OXO5PYRIDIN3YL58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD04457446
ZINC000100821755
ZINC000100821756
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