Vitas-M small molecule compound
methyl {2-(1,3-benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-3,6-dioxo-2,3,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}acetate
Catalog ID
STK513479
SMILES COC(=O)Cn1n(c2nc3c(s2)cccc3)c(=O)c2c1cc(=O)n(c2C)CCc1c[nH]c2c1cccc2
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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 C27H23N5O4S MW 513.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O4S/c1-16-25-21(13-23(33)30(16)12-11-17-14-28-19-8-4-3-7-18(17)19)31(15-24(34)36-2)32(26(25)35)27-29-20-9-5-6-10-22(20)37-27/h3-10,13-14,28H,11-12,15H2,1-2H3InChIKey
BKHCIYRFOIXBPJ-UHFFFAOYSA-NSynonyms
CC1=C2C(=CC(=O)N1CCC3=CNC4=CC=CC=C43)N(N(C2=O)C5=NC6=CC=CC=C6S5)CC(=O)OC
COC(=O)Cn1n(c2nc3c(s2)cccc3)c(=O)c2c1cc(=O)n(c2C)CCc1c(nH)c2c1cccc2
InChI=1SC27H23N5O4Sc1162521(1323(33)30(16)121117142819843718(17)19)31(1524(34)362)32(26(25)35)2729209561022(20)3727h310131428H111215H212H3
methyl(2(13benzothiazol2yl)5(2(1Hindol3yl)ethyl)4methyl36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)acetate
METHYL2(2(13BENZOTHIAZOL2YL)5(2(1HINDOL3YL)ETHYL)4METHYL36DIOXOPYRAZOLO(43C)PYRIDIN1YL)ACETATE
METHYL2(2BENZOTHIAZOL2YL5(2INDOL3YLETHYL)4METHYL36DIOXO5HYDRO3PYRAZOLINO(43C)PYRIDINYL)ACETATE
MFCD06242283
ZINC000001413836
ZINC01413836
ZINC1413836
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.