Vitas-M small molecule compound

methyl 9-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

Catalog ID
STL177024
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])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 C22H17N5O6S MW 479.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O6S/c1-11-4-6-15(14(8-11)27(29)30)32-9-13-5-7-16(33-13)19-24-20-17-12(2)18(22(28)31-3)34-21(17)23-10-26(20)25-19/h4-8,10H,9H2,1-3H3
InChIKey
XQRRSESDGIOLRN-UHFFFAOYSA-N
Synonyms
832134-73-3
832134733
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C(=C(S5)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)COc1ccc(cc1(N+)(=O)(O))C
InChI=1SC22H17N5O6Sc1114615(14(811)27(29)30)329135716(3313)1924201712(2)18(22(28)313)3421(17)231026(20)2519h4810H9H213H3
methyl9methyl2(5((4methyl2nitrophenoxy)methyl)furan2yl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133565
ZINC000002799694
ZINC02799694
ZINC2799694

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Available files

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