Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173024
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CN1CCCC1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1F)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 C30H32BrFN4O2 MW 579.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrFN4O2/c1-30(2)14-24-28(25(37)15-30)27(18-6-9-26(38-3)19(12-18)17-35-10-4-5-11-35)21(16-33)29(34)36(24)23-8-7-20(31)13-22(23)32/h6-9,12-13,27H,4-5,10-11,14-15,17,34H2,1-3H3InChIKey
KYMIMOFOQWQRAW-UHFFFAOYSA-NSynonyms
515121-69-42amino1(4bromo2fluorophenyl)4(4methoxy3(pyrrolidin1ylmethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMO2FLUOROPHENYL)4(4METHOXY3(PYRROLIDIN1YLMETHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
515121694
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC(=C(C=C4)OC)CN5CCCC5)C(=O)C1)C
InChI=1SC30H32BrFN4O2c130(2)142428(25(37)1530)27(186926(383)19(1218)173510451135)21(1633)29(34)36(24)238720(31)1322(23)32h69121327H45101114151734H213H3
MFCD03758119
ZINC000002103173
ZINC000002103176
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