Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-(2-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798109
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)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 C25H21N3O8S MW 523.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O8S/c1-13-21(24(31)35-4)22(16-9-10-18(36-14(2)29)19(11-16)34-3)27-23(30)20(37-25(27)26-13)12-15-7-5-6-8-17(15)28(32)33/h5-12,22H,1-4H3/b20-12+InChIKey
RPYPIVUXWYAKPU-UDWIEESQSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3(N+)(=O)(O))SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2
InChI=1SC25H21N3O8Sc11321(24(31)354)22(1691018(3614(2)29)19(1116)343)2723(30)20(3725(27)2613)1215756817(15)28(32)33h51222H14H3b2012+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2(2nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)7methyl2((2nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417342
ZINC000100838259
ZINC000100838263
Check stock
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