Vitas-M small molecule compound
9-(difluoromethyl)-2-[2-(4-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
STL395152
SMILES FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)CCn1ncc(c1)[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)15-8-14(12-4-2-1-3-5-12)17-18-19(35-22(17)27-15)21-28-16(29-31(21)11-25-18)6-7-30-10-13(9-26-30)32(33)34/h1-5,8-11,20H,6-7H2InChIKey
COMORVJOJNWWBN-UHFFFAOYSA-NSynonyms
1006993-67-41006993674
9(difluoromethyl)2(2(4nitro1Hpyrazol1yl)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=C(C=N6)(N+)(=O)(O))C(F)F
FC(c1nc2sc3c(c2c(c1)c1ccccc1)ncn1c3nc(n1)CCn1ncc(c1)(N+)(=O)(O))F
InChI=1SC22H14F2N8O2Sc2320(24)15814(124213512)171819(3522(17)2715)212816(2931(21)112518)67301013(92630)32(33)34h1581120H67H2
MFCD08553759
ZINC000013643923
ZINC13643923
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