Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780636
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1scc(c1)CN1CCOCC1)N
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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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-32-19-7-5-18(6-8-19)30-21-3-2-4-22(31)25(21)24(20(14-27)26(30)28)23-13-17(16-34-23)15-29-9-11-33-12-10-29/h5-8,13,16,24H,2-4,9-12,15,28H2,1H3InChIKey
BOYFRFKACMMVRU-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4methoxyphenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)CCC3
InChI=1SC26H28N4O3Sc132197518(6819)302132422(31)25(21)24(20(1427)26(30)28)231317(163423)152991133121029h58131624H249121528H21H3
MFCD06013443
ZINC000019874242
ZINC000019874244
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