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2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK798977
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/s2)C(=O)OCC(C)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 C32H29N3O9S MW 631.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O9S/c1-17(2)16-42-31(38)28-18(3)33-32-34(29(28)21-9-11-25(43-19(4)36)26(14-21)41-5)30(37)27(45-32)15-23-10-12-24(44-23)20-7-6-8-22(13-20)35(39)40/h6-15,17,29H,16H2,1-5H3/b27-15+
InChIKey
RYKVULSRZBFGTI-JFLMPSFJSA-N
Synonyms

2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))SC2=N1)C5=CC(=C(C=C5)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))s2)C(=O)OCC(C)C
InChI=1SC32H29N3O9Sc117(2)164231(38)2818(3)333234(29(28)2191125(4319(4)36)26(1421)415)30(37)27(4532)1523101224(4423)2076822(1320)35(39)40h6151729H16H215H3b2715+
MFCD03417956
ZINC000150398828
ZINC000150398831

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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