Vitas-M small molecule compound

2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone

Catalog ID
STK741575
SMILES Clc1ccc(cc1)c1c(C)nn2c1nc(cc2SCC(=O)N1CCCc2c1cccc2)C(C)(C)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 C28H29ClN4OS MW 505.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4OS/c1-18-26(20-11-13-21(29)14-12-20)27-30-23(28(2,3)4)16-25(33(27)31-18)35-17-24(34)32-15-7-9-19-8-5-6-10-22(19)32/h5-6,8,10-14,16H,7,9,15,17H2,1-4H3
InChIKey
YTYAHFGTSVTGEH-UHFFFAOYSA-N
Synonyms
850750-49-1
2((5(tertbutyl)3(4chlorophenyl)2methylpyrazolo(15a)pyrimidin7yl)thio)1(34dihydroquinolin1(2H)yl)ethanone
2((5tertbutyl3(4chlorophenyl)2methylpyrazolo(15a)pyrimidin7yl)sulfanyl)1(34dihydroquinolin1(2H)yl)ethanone
2(5TERTBUTYL3(4CHLOROPHENYL)2METHYLPYRAZOLO(15A)PYRIMIDIN7YL)SULFANYL1(34DIHYDRO2HQUINOLIN1YL)ETHANONE
850750491
CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)N4CCCC5=CC=CC=C54
InChI=1SC28H29ClN4OSc11826(20111321(29)141220)273023(28(23)4)1625(33(27)3118)351724(34)321579198561022(19)32h568101416H791517H214H3
MFCD05694674
ZINC000002423066
ZINC02423066
ZINC2423066

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Available files

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