Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Catalog ID
STK419657
SMILES COc1ccc(cc1OC)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C#N)CCCCCC2
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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-34-25-14-13-18(15-26(25)35-2)24-16-21(19-9-7-8-11-23(19)31-24)28(33)32-29-22(17-30)20-10-5-3-4-6-12-27(20)36-29/h7-9,11,13-16H,3-6,10,12H2,1-2H3,(H,32,33)InChIKey
KHZBALONAIRGBF-UHFFFAOYSA-NSynonyms
438475-89-9438475899
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C#N)OC
InChI=1SC29H27N3O3Sc13425141318(1526(25)352)241621(199781123(19)3124)28(33)322922(1730)201053461227(20)3629h79111316H361012H212H3(H3233)
MFCD02372037
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2(34dimethoxyphenyl)quinoline4carboxamide
ZINC000002753335
ZINC02753335
ZINC2753335
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