Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-methyl-5-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058652
SMILES Cc1ccc2c(c1)c(c[nH]2)CCn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
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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 C25H20N5O2S MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O2S/c1-14-7-8-18-17(11-14)16(13-26-18)9-10-29-15(2)23-20(12-22(29)31)28-30(24(23)32)25-27-19-5-3-4-6-21(19)33-25/h3-8,11-13,26,31H,9-10H2,1-2H3/p-1InChIKey
AXJJJEASGMKBOM-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)4methyl5(2(5methyl1Hindol3yl)ethyl)3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)4methyl5(2(5methyl1Hindol3yl)ethyl)3oxopyrazolo(43c)pyridin6olate
CC1=CC2=C(C=C1)NC=C2CCN3C(=C4C(=NN(C4=O)C5=NC6=CC=CC=C6S5)C=C3(O))C
Cc1ccc2c(c1)c(c(nH)2)CCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
Cc1ccc2c(c1)c(c(nH)2)CCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
InChI=1SC25H21N5O2Sc114781817(1114)16(132618)9102915(2)2320(1222(29)31)2830(24(23)32)252719534621(19)3325h3811132631H910H212H3p1
sodium2(benzo(d)thiazol2yl)4methyl5(2(5methyl1Hindol3yl)ethyl)3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012408327
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