Vitas-M small molecule compound
methyl 2-({[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL404399
SMILES COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(nc2c1c(C)nn2C)c1c(C)nn(c1C)C
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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 C26H30N6O3S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O3S/c1-13-20(15(3)31(4)29-13)18-12-17(21-14(2)30-32(5)23(21)27-18)24(33)28-25-22(26(34)35-6)16-10-8-7-9-11-19(16)36-25/h12H,7-11H2,1-6H3,(H,28,33)InChIKey
CANNGVVDLMGJMH-UHFFFAOYSA-NSynonyms
1006358-39-91006358399
CC1=C(C(=NN1C)C)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC
InChI=1SC26H30N6O3Sc11320(15(3)31(4)2913)181217(2114(2)3032(5)23(21)2718)24(33)282522(26(34)356)16108791119(16)3625h12H711H216H3(H2833)
methyl2(((13dimethyl6(135trimethyl1Hpyrazol4yl)1Hpyrazolo(34b)pyridin4yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((13dimethyl6(135trimethylpyrazol4yl)pyrazolo(34b)pyridine4carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD08554883
ZINC000020606494
ZINC20606494
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