Vitas-M small molecule compound
propan-2-yl 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
STK980978
SMILES CC(OC(=O)C1=C(C)Nc2c(C1c1cccnc1)c(=O)[nH]c(n2)SCc1ccc(cc1)[N+](=O)[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 C24H23N5O5S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O5S/c1-13(2)34-23(31)18-14(3)26-21-20(19(18)16-5-4-10-25-11-16)22(30)28-24(27-21)35-12-15-6-8-17(9-7-15)29(32)33/h4-11,13,19H,12H2,1-3H3,(H2,26,27,28,30)InChIKey
MKJSCRVJILEMEI-UHFFFAOYSA-NSynonyms
537663-61-9537663619
CC(OC(=O)C1=C(C)Nc2c(C1c1cccnc1)c(=O)(nH)c(n2)SCc1ccc(cc1)(N+)(=O)(O))C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CN=CC=C4)C(=O)OC(C)C
InChI=1SC24H23N5O5Sc113(2)3423(31)1814(3)262120(19(18)165410251116)22(30)2824(2721)3512156817(9715)29(32)33h4111319H12H213H3(H226272830)
MFCD05712655
propan2yl7methyl2((4nitrobenzyl)sulfanyl)4oxo5(pyridin3yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl7methyl2((4nitrophenyl)methylsulfanyl)4oxo5pyridin3yl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000009393875
ZINC000009393877
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