Vitas-M small molecule compound
7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL394007
SMILES Cc1n(C)ncc1c1cc(nc2c1c1ncn3c(c1s2)nc(n3)Cn1cc(c(n1)C)[N+](=O)[O-])C(F)(F)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 C21H15F3N10O2S MW 528.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N10O2S/c1-9-13(34(35)36)6-32(29-9)7-15-28-19-18-17(25-8-33(19)30-15)16-11(12-5-26-31(3)10(12)2)4-14(21(22,23)24)27-20(16)37-18/h4-6,8H,7H2,1-3H3InChIKey
NJWBCJMLTGTIEV-UHFFFAOYSA-NSynonyms
1007343-51-21007343512
7(15dimethyl1Hpyrazol4yl)2((3methyl4nitro1Hpyrazol1yl)methyl)9(trifluoromethyl)pyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CC1=C(C=NN1C)C2=CC(=NC3=C2C4=C(S3)C5=NC(=NN5C=N4)CN6C=C(C(=N6)C)(N+)(=O)(O))C(F)(F)F
Cc1n(C)ncc1c1cc(nc2c1c1ncn3c(c1s2)nc(n3)Cn1cc(c(n1)C)(N+)(=O)(O))C(F)(F)F
InChI=1SC21H15F3N10O2Sc1913(34(35)36)632(299)71528191817(25833(19)3015)1611(1252631(3)10(12)2)414(21(2223)24)2720(16)3718h468H7H213H3
MFCD08558562
ZINC000098046273
ZINC98046273
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