Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798809
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccccc1[N+](=O)[O-])/s2
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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 C23H19N3O6S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6S/c1-13-19(22(28)32-3)20(14-8-10-16(31-2)11-9-14)25-21(27)18(33-23(25)24-13)12-15-6-4-5-7-17(15)26(29)30/h4-12,20H,1-3H3/b18-12+InChIKey
BYXOIAUUFBSDGG-LDADJPATSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3(N+)(=O)(O))SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2
InChI=1SC23H19N3O6Sc11319(22(28)323)20(1481016(312)11914)2521(27)18(3323(25)2413)1215645717(15)26(29)30h41220H13H3b1812+
methyl(2E)5(4methoxyphenyl)7methyl2((2nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl2(2nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02166128
ZINC000016700483
ZINC000016700486
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