Vitas-M small molecule compound
9-(difluoromethyl)-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL397232
SMILES FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)CCn1ccc(n1)[N+](=O)[O-])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/c23-20(24)14-10-13(12-4-2-1-3-5-12)17-18-19(35-22(17)26-14)21-27-15(28-31(21)11-25-18)6-8-30-9-7-16(29-30)32(33)34/h1-5,7,9-11,20H,6,8H2InChIKey
NKGVCRQDVBFYST-UHFFFAOYSA-NSynonyms
1006998-13-51006998135
9(difluoromethyl)2(2(3nitro1Hpyrazol1yl)ethyl)7phenylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
C1=CC=C(C=C1)C2=CC(=NC3=C2C4=C(S3)C5=NC(=NN5C=N4)CCN6C=CC(=N6)(N+)(=O)(O))C(F)F
FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)CCn1ccc(n1)(N+)(=O)(O))F
InChI=1SC22H14F2N8O2Sc2320(24)141013(124213512)171819(3522(17)2614)212715(2831(21)112518)68309716(2930)32(33)34h15791120H68H2
MFCD08554808
ZINC000013643829
ZINC13643829
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