Vitas-M small molecule compound
methyl (2E)-7-methyl-2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797903
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)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 C24H17N3O6S2 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O6S2/c1-13-20(23(29)32-2)21(18-8-5-11-34-18)26-22(28)19(35-24(26)25-13)12-14-9-10-17(33-14)15-6-3-4-7-16(15)27(30)31/h3-12,21H,1-2H3/b19-12+InChIKey
RTZINNPWHSAFIW-XDHOZWIPSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))SC2=N1)C5=CC=CS5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
InChI=1SC24H17N3O6S2c11320(23(29)322)21(1885113418)2622(28)19(3524(26)2513)121491017(3314)15634716(15)27(30)31h31221H12H3b1912+
methyl(2E)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03461810
ZINC000016700057
ZINC000016700059
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