Vitas-M small molecule compound
2-{2,5-dioxo-4-[4-(prop-2-en-1-yloxy)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK779781
SMILES C=CCOc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
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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 C28H28N2O3S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3S/c1-2-15-33-19-13-11-18(12-14-19)21-16-26(32)30(23-8-6-9-24(31)27(21)23)28-22(17-29)20-7-4-3-5-10-25(20)34-28/h2,11-14,21H,1,3-10,15-16H2InChIKey
GWCICAPQLQHTBW-UHFFFAOYSA-NSynonyms
2(25dioxo4(4(prop2en1yloxy)phenyl)345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(25dioxo4(4prop2enoxyphenyl)4678tetrahydro3Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
C=CCOC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC28H28N2O3Sc12153319131118(121419)211626(32)30(2386924(31)27(21)23)2822(1729)2074351025(20)3428h2111421H13101516H2
MFCD05859153
ZINC000012363600
ZINC000012363602
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