Vitas-M small molecule compound
methyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL334221
SMILES COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2
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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 C26H23F3N4O4S MW 544.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23F3N4O4S/c1-36-15-10-8-14(9-11-15)17-12-20(26(27,28)29)33-21(30-17)13-18(32-33)23(34)31-24-22(25(35)37-2)16-6-4-3-5-7-19(16)38-24/h8-13H,3-7H2,1-2H3,(H,31,34)InChIKey
RQLXQIRLIMDRGJ-UHFFFAOYSA-NSynonyms
312699-24-4312699244
COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC
InChI=1SC26H23F3N4O4Sc1361510814(91115)171220(26(2728)29)3321(3017)1318(3233)23(34)312422(25(35)372)166435719(16)3824h813H37H212H3(H3134)
methyl2(((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01449911
ZINC000002353497
ZINC2353497
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