Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Catalog ID
STK374369
SMILES COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-33-24-13-12-17(14-25(24)34-2)23-15-20(18-8-6-7-10-22(18)30-23)27(32)31-28-21(16-29)19-9-4-3-5-11-26(19)35-28/h6-8,10,12-15H,3-5,9,11H2,1-2H3,(H,31,32)InChIKey
WNFAXEBSNIXYAP-UHFFFAOYSA-NSynonyms
314022-56-5314022565
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N)OC
InChI=1SC28H25N3O3Sc13324131217(1425(24)342)231520(188671022(18)3023)27(32)312821(1629)1994351126(19)3528h68101215H35911H212H3(H3132)
MFCD01107327
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(34dimethoxyphenyl)quinoline4carboxamide
ZINC000002779487
ZINC02779487
ZINC2779487
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