Vitas-M small molecule compound
methyl 2-[({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-3-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL397599
SMILES COC(=O)c1c(NC(=O)c2ccn(n2)c2nc(cc(n2)C(F)(F)F)c2cnn(c2)C)sc2c1CCCCC2
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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 C24H22F3N7O3S MW 545.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3N7O3S/c1-33-12-13(11-28-33)16-10-18(24(25,26)27)30-23(29-16)34-9-8-15(32-34)20(35)31-21-19(22(36)37-2)14-6-4-3-5-7-17(14)38-21/h8-12H,3-7H2,1-2H3,(H,31,35)InChIKey
QOLHELYNCZZRES-UHFFFAOYSA-NSynonyms
1006329-12-91006329129
CN1C=C(C=N1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC)C(F)(F)F
InChI=1SC24H22F3N7O3Sc1331213(112833)161018(24(2526)27)3023(2916)349815(3234)20(35)312119(22(36)372)146435717(14)3821h812H37H212H3(H3135)
methyl2(((1(4(1methyl1Hpyrazol4yl)6(trifluoromethyl)pyrimidin2yl)1Hpyrazol3yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((1(4(1methylpyrazol4yl)6(trifluoromethyl)pyrimidin2yl)pyrazole3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD08554543
ZINC000097947901
ZINC97947901
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