Vitas-M small molecule compound
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK676125
SMILES COc1ccc(cc1OC)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Sc2ccc(cc2)Br)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 C28H18BrClF3N5O5S MW 708.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18BrClF3N5O5S/c1-42-21-8-3-14(9-22(21)43-2)20-13-23(28(31,32)33)37-26(35-20)24(30)25(36-37)27(39)34-16-10-17(38(40)41)12-19(11-16)44-18-6-4-15(29)5-7-18/h3-13H,1-2H3,(H,34,39)InChIKey
MLSPYJOIGUIHIT-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)Br)(N+)(=O)(O))Cl)OC
COc1ccc(cc1OC)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Sc2ccc(cc2)Br)cc(c1)(N+)(=O)(O)
InChI=1SC28H18BrClF3N5O5Sc142218314(922(21)432)201323(28(3132)33)3726(3520)24(30)25(3637)27(39)34161017(38(40)41)1219(1116)44186415(29)5718h313H12H3(H3439)
MFCD01529277
N(3((4bromophenyl)sulfanyl)5nitrophenyl)3chloro5(34dimethoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
N(3(4BROMOPHENYL)SULFANYL5NITROPHENYL)3CHLORO5(34DIMETHOXYPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBOXAMIDE
ZINC000096913822
ZINC96913822
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