Vitas-M small molecule compound
2-amino-1-(4-fluorophenyl)-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL171805
SMILES N#CC1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)CN1CCOCC1)OC)C(=O)CC(C2)(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 C30H33FN4O3 MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33FN4O3/c1-30(2)15-24-28(25(36)16-30)27(23(17-32)29(33)35(24)22-7-5-21(31)6-8-22)19-4-9-26(37-3)20(14-19)18-34-10-12-38-13-11-34/h4-9,14,27H,10-13,15-16,18,33H2,1-3H3InChIKey
APWLBKHNDIULAS-UHFFFAOYSA-NSynonyms
445016-56-82amino1(4fluorophenyl)4(4methoxy3(morpholin4ylmethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4FLUOROPHENYL)4(4METHOXY3(MORPHOLIN4YLMETHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
445016568
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC(=C(C=C4)OC)CN5CCOCC5)C(=O)C1)C
InChI=1SC30H33FN4O3c130(2)152428(25(36)1630)27(23(1732)29(33)35(24)227521(31)6822)194926(373)20(1419)1834101238131134h491427H101315161833H213H3
MFCD03072867
ZINC000013882222
ZINC000013882223
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