Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK960431
SMILES Fc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1nc2c(s1)cccc2
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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 C26H24FN3O2S MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O2S/c1-14-21(24(32)30-25-29-17-9-4-5-10-20(17)33-25)22(15-7-6-8-16(27)11-15)23-18(28-14)12-26(2,3)13-19(23)31/h4-11,22,28H,12-13H2,1-3H3,(H,29,30,32)InChIKey
LWCBJAUGPAALQU-UHFFFAOYSA-NSynonyms
445015-07-6445015076
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)NC4=NC5=CC=CC=C5S4
InChI=1SC26H24FN3O2Sc11421(24(32)302529179451020(17)3325)22(1576816(27)1115)2318(2814)1226(23)1319(23)31h4112228H1213H213H3(H293032)
MFCD03072699
N(13benzothiazol2yl)4(3fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
N(13benzothiazol2yl)4(3fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
ZINC000008440099
ZINC000008440103
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