Vitas-M small molecule compound

N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Catalog ID
STL172765
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)Br

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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 C25H26BrN3O2S MW 512.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O2S/c1-14-21(24(31)29-20-10-7-16(26)13-27-20)22(15-5-8-17(32-4)9-6-15)23-18(28-14)11-25(2,3)12-19(23)30/h5-10,13,22,28H,11-12H2,1-4H3,(H,27,29,31)
InChIKey
VTDUPFPVYLYMDJ-UHFFFAOYSA-N
Synonyms
515829-77-3
515829773
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)NC4=NC=C(C=C4)Br
InChI=1SC25H26BrN3O2Sc11421(24(31)292010716(26)132720)22(155817(324)9615)2318(2814)1125(23)1219(23)30h510132228H1112H214H3(H272931)
MFCD03758753
N(5bromopyridin2yl)277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxamide
N(5bromopyridin2yl)277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxamide
ZINC000000696088
ZINC000000696089

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Available files

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