Vitas-M small molecule compound
N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174259
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1sc2c(n1)ccc(c2)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 C27H26BrN3O2S2 MW 568.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O2S2/c1-14-22(25(33)31-26-30-18-10-7-16(28)11-21(18)35-26)23(15-5-8-17(34-4)9-6-15)24-19(29-14)12-27(2,3)13-20(24)32/h5-11,23,29H,12-13H2,1-4H3,(H,30,31,33)InChIKey
AKIJVHRVZOLBHG-UHFFFAOYSA-NSynonyms
444926-02-7444926027
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br
InChI=1SC27H26BrN3O2S2c11422(25(33)3126301810716(28)1121(18)3526)23(155817(344)9615)2419(2914)1227(23)1320(24)32h5112329H1213H214H3(H303133)
MFCD02606302
N(6bromo13benzothiazol2yl)277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxamide
N(6bromo13benzothiazol2yl)277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxamide
ZINC000097959813
ZINC000097959814
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