Vitas-M small molecule compound
3-chloro-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK676156
SMILES COc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Oc2ccc(c(c2)C)Cl)cc(c1)[N+](=O)[O-]
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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 C28H18Cl2F3N5O5 MW 632.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Cl2F3N5O5/c1-14-9-19(7-8-21(14)29)43-20-11-16(10-17(12-20)38(40)41)34-27(39)25-24(30)26-35-22(15-3-5-18(42-2)6-4-15)13-23(28(31,32)33)37(26)36-25/h3-13H,1-2H3,(H,34,39)InChIKey
JXRBDERMXFRPKP-UHFFFAOYSA-NSynonyms
3chloroN(3(4chloro3methylphenoxy)5nitrophenyl)5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=C(C=C5)OC)C(F)(F)F)Cl
COc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Oc2ccc(c(c2)C)Cl)cc(c1)(N+)(=O)(O)
InChI=1SC28H18Cl2F3N5O5c114919(7821(14)29)43201116(1017(1220)38(40)41)3427(39)2524(30)263522(153518(422)6415)1323(28(3132)33)37(26)3625h313H12H3(H3439)
MFCD01528887
ZINC000150368564
ZINC150368564
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