Vitas-M small molecule compound
2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK305983
SMILES [O-][N+](=O)c1ccc(cc1)OCc1ccc(o1)c1nc2n(n1)cnc1c2c2CCCCc2s1
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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 C22H17N5O4S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4S/c28-27(29)13-5-7-14(8-6-13)30-11-15-9-10-17(31-15)20-24-21-19-16-3-1-2-4-18(16)32-22(19)23-12-26(21)25-20/h5-10,12H,1-4,11H2InChIKey
IZUUXRRLKFTAFN-UHFFFAOYSA-NSynonyms
676581-18-3(O)(N+)(=O)c1ccc(cc1)OCc1ccc(o1)c1nc2n(n1)cnc1c2c2CCCCc2s1
2(5((4nitrophenoxy)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
676581183
C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(O5)COC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC22H17N5O4Sc2827(29)135714(8613)30111591017(3115)2024211916312418(16)3222(19)231226(21)2520h51012H1411H2
MFCD04046641
ZINC000002788134
ZINC02788134
ZINC2788134
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