Vitas-M small molecule compound

2-{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}-N-(3-chloro-4-fluorophenyl)acetamide

Catalog ID
STK262481
SMILES O=C(Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)CCc1c[nH]c2c1cccc2)Nc1ccc(c(c1)Cl)F

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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 C32H24ClFN6O3S MW 627.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24ClFN6O3S/c1-18-30-26(15-29(42)38(18)13-12-19-16-35-24-7-3-2-6-21(19)24)39(17-28(41)36-20-10-11-23(34)22(33)14-20)40(31(30)43)32-37-25-8-4-5-9-27(25)44-32/h2-11,14-16,35H,12-13,17H2,1H3,(H,36,41)
InChIKey
SWLJLMMKRJMVGW-UHFFFAOYSA-N
Synonyms

2(2(13benzothiazol2yl)5(2(1Hindol3yl)ethyl)4methyl36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)N(3chloro4fluorophenyl)acetamide
2(2(13BENZOTHIAZOL2YL)5(2(1HINDOL3YL)ETHYL)4METHYL36DIOXOPYRAZOLO(43C)PYRIDIN1YL)N(3CHLORO4FLUOROPHENYL)ACETAMIDE
2(2BENZOTHIAZOL2YL5(2INDOL3YLETHYL)4METHYL36DIOXO(5HYDRO3PYRAZOLINO(43C)PYRIDINYL))N(3CHLORO4FLUOROPHENYL)ACETAMIDE
CC1=C2C(=CC(=O)N1CCC3=CNC4=CC=CC=C43)N(N(C2=O)C5=NC6=CC=CC=C6S5)CC(=O)NC7=CC(=C(C=C7)F)Cl
InChI=1SC32H24ClFN6O3Sc1183026(1529(42)38(18)131219163524732621(19)24)39(1728(41)3620101123(34)22(33)1420)40(31(30)43)323725845927(25)4432h211141635H121317H21H3(H3641)
MFCD07620965
O=C(Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)CCc1c(nH)c2c1cccc2)Nc1ccc(c(c1)Cl)F
ZINC000097948999
ZINC97948999

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Available files

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