Vitas-M small molecule compound
2-{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK306625
SMILES [O-][N+](=O)c1ccc(cc1C)OCc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC2
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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/c1-12-9-13(5-7-16(12)27(28)29)30-10-14-6-8-17(31-14)20-24-21-19-15-3-2-4-18(15)32-22(19)23-11-26(21)25-20/h5-9,11H,2-4,10H2,1H3InChIKey
JKCBXARMLMTANF-UHFFFAOYSA-NSynonyms
677329-16-7(O)(N+)(=O)c1ccc(cc1C)OCc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC2
2(5((3methyl4nitrophenoxy)methyl)furan2yl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
677329167
CC1=C(C=CC(=C1)OCC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCC6)(N+)(=O)(O)
InChI=1SC22H17N5O4Sc112913(5716(12)27(28)29)3010146817(3114)202421191532418(15)3222(19)231126(21)2520h5911H2410H21H3
MFCD04051161
ZINC000002791314
ZINC02791314
ZINC2791314
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