Vitas-M small molecule compound
methyl (2E)-5-(4-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
STK798536
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(o1)c1cccc(c1)[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 C27H21N3O7S MW 531.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O7S/c1-15-23(26(32)36-3)24(16-7-9-19(35-2)10-8-16)29-25(31)22(38-27(29)28-15)14-20-11-12-21(37-20)17-5-4-6-18(13-17)30(33)34/h4-14,24H,1-3H3/b22-14+InChIKey
FWUXLICWMGYSPA-HYARGMPZSA-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)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))s2
InChI=1SC27H21N3O7Sc11523(26(32)363)24(167919(352)10816)2925(31)22(3827(29)2815)1420111221(3720)1754618(1317)30(33)34h41424H13H3b2214+
methyl(2E)5(4methoxyphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417739
ZINC000100838968
ZINC000100838973
Check stock
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Check stock on Vitas-MAvailable files
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