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-(4-methoxyphenyl)acetamide

Catalog ID
STK262468
SMILES COc1ccc(cc1)NC(=O)Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)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 C33H28N6O4S MW 604.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N6O4S/c1-20-31-27(17-30(41)37(20)16-15-21-18-34-25-8-4-3-7-24(21)25)38(19-29(40)35-22-11-13-23(43-2)14-12-22)39(32(31)42)33-36-26-9-5-6-10-28(26)44-33/h3-14,17-18,34H,15-16,19H2,1-2H3,(H,35,40)
InChIKey
GXEGURNCMXCJRW-UHFFFAOYSA-N
Synonyms

2(2(13benzothiazol2yl)5(2(1Hindol3yl)ethyl)4methyl36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)N(4methoxyphenyl)acetamide
2(2(13BENZOTHIAZOL2YL)5(2(1HINDOL3YL)ETHYL)4METHYL36DIOXOPYRAZOLO(43C)PYRIDIN1YL)N(4METHOXYPHENYL)ACETAMIDE
2(2BENZOTHIAZOL2YL5(2INDOL3YLETHYL)4METHYL36DIOXO(5HYDRO3PYRAZOLINO(43C)PYRIDINYL))N(4METHOXYPHENYL)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)OC
COc1ccc(cc1)NC(=O)Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)CCc1c(nH)c2c1cccc2
InChI=1SC33H28N6O4Sc1203127(1730(41)37(20)161521183425843724(21)25)38(1929(40)3522111323(432)141222)39(32(31)42)3336269561028(26)4433h314171834H151619H212H3(H3540)
MFCD07620959
ZINC000097948802
ZINC97948802

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Available files

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