Vitas-M small molecule compound
2-{5-[(4-nitro-1H-pyrazol-1-yl)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
STK305468
SMILES [O-][N+](=O)c1cnn(c1)Cc1ccc(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 C18H13N7O3S MW 407.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N7O3S/c26-25(27)10-6-20-23(7-10)8-11-4-5-13(28-11)16-21-17-15-12-2-1-3-14(12)29-18(15)19-9-24(17)22-16/h4-7,9H,1-3,8H2InChIKey
CHXNFMSTAQZGJR-UHFFFAOYSA-NSynonyms
1005635-76-6(O)(N+)(=O)c1cnn(c1)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC2
1005635766
2(5((4nitro1Hpyrazol1yl)methyl)furan2yl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
C1CC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(O5)CN6C=C(C=N6)(N+)(=O)(O)
InChI=1SC18H13N7O3Sc2625(27)1062023(710)8114513(2811)162117151221314(12)2918(15)19924(17)2216h479H138H2
MFCD04050657
ZINC000002786349
ZINC02786349
ZINC2786349
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