Vitas-M small molecule compound
9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STK302951
SMILES O=C1NC(Nc2c1sc1c2c(C)cc(n1)C(F)(F)F)c1ccc(o1)Cn1ncc(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 C19H13F3N6O4S MW 478.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N6O4S/c1-8-4-12(19(20,21)22)24-18-13(8)14-15(33-18)17(29)26-16(25-14)11-3-2-10(32-11)7-27-6-9(5-23-27)28(30)31/h2-6,16,25H,7H2,1H3,(H,26,29)InChIKey
MNMKYPUHAJAALG-UHFFFAOYSA-NSynonyms
1005649-21-71005649217
9methyl2(5((4nitro1Hpyrazol1yl)methyl)furan2yl)7(trifluoromethyl)23dihydropyrido(3245)thieno(32d)pyrimidin4(1H)one
9methyl2(5((4nitropyrazol1yl)methyl)furan2yl)7(trifluoromethyl)23dihydro1Hpyrido(23)thieno(24d)pyrimidin4one
CC1=CC(=NC2=C1C3=C(S2)C(=O)NC(N3)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O))C(F)(F)F
InChI=1SC19H13F3N6O4Sc18412(19(2021)22)241813(8)1415(3318)17(29)2616(2514)113210(3211)72769(52327)28(30)31h261625H7H21H3(H2629)
MFCD04048824
O=C1NC(Nc2c1sc1c2c(C)cc(n1)C(F)(F)F)c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
ZINC000013958189
ZINC000013958191
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