Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798131
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(o1)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 C29H23N3O9S MW 589.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O9S/c1-15-25(28(35)39-4)26(17-9-11-22(40-16(2)33)23(13-17)38-3)31-27(34)24(42-29(31)30-15)14-18-10-12-21(41-18)19-7-5-6-8-20(19)32(36)37/h5-14,26H,1-4H3/b24-14+InChIKey
WCPYZKUGAMYPRD-ZVHZXABRSA-NSynonyms
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)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
InChI=1SC29H23N3O9Sc11525(28(35)394)26(1791122(4016(2)33)23(1317)383)3127(34)24(4229(31)3015)1418101221(4118)19756820(19)32(36)37h51426H14H3b2414+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03461871
ZINC000100838293
ZINC000100838294
Check stock
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Check stock on Vitas-MAvailable files
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