Vitas-M small molecule compound
methyl 10-cyclopropyl-2-(3-nitrophenyl)-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylate
Catalog ID
STL391831
SMILES COC(=O)c1cc(nc2n1nc1c2c(cc(n1)C(F)(F)F)C1CC1)c1cccc(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 C21H14F3N5O4 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N5O4/c1-33-20(30)15-9-14(11-3-2-4-12(7-11)29(31)32)25-19-17-13(10-5-6-10)8-16(21(22,23)24)26-18(17)27-28(15)19/h2-4,7-10H,5-6H2,1H3InChIKey
WQJHGGOVYDTCBR-UHFFFAOYSA-NSynonyms
932177-76-9932177769
COC(=O)C1=CC(=NC2=C3C(=CC(=NC3=NN12)C(F)(F)F)C4CC4)C5=CC(=CC=C5)(N+)(=O)(O)
COC(=O)c1cc(nc2n1nc1c2c(cc(n1)C(F)(F)F)C1CC1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H14F3N5O4c13320(30)15914(1132412(711)29(31)32)25191713(105610)816(21(2223)24)2618(17)2728(15)19h24710H56H21H3
methyl10cyclopropyl2(3nitrophenyl)8(trifluoromethyl)pyrido(23)pyrazolo(24a)pyrimidine4carboxylate
methyl10cyclopropyl2(3nitrophenyl)8(trifluoromethyl)pyrido(2334)pyrazolo(15a)pyrimidine4carboxylate
MFCD09471025
ZINC000013645697
ZINC13645697
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