Vitas-M small molecule compound
9-(difluoromethyl)-2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL391362
SMILES FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)c1nn(c(c1[N+](=O)[O-])C)C)F
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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 C22H14F2N8O2S MW 492.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14F2N8O2S/c1-10-17(32(33)34)16(28-30(10)2)20-27-21-18-15(25-9-31(21)29-20)14-12(11-6-4-3-5-7-11)8-13(19(23)24)26-22(14)35-18/h3-9,19H,1-2H3InChIKey
CPTDIRSQPBNQTC-UHFFFAOYSA-NSynonyms
1006998-06-61006998066
9(difluoromethyl)2(15dimethyl4nitro1Hpyrazol3yl)7phenylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1C)C2=NN3C=NC4=C(C3=N2)SC5=C4C(=CC(=N5)C(F)F)C6=CC=CC=C6)(N+)(=O)(O)
FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)c1nn(c(c1(N+)(=O)(O))C)C)F
InChI=1SC22H14F2N8O2Sc11017(32(33)34)16(2830(10)2)2027211815(25931(21)2920)1412(116435711)813(19(23)24)2622(14)3518h3919H12H3
MFCD08554763
ZINC000013643807
ZINC13643807
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