Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757123
SMILES CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2)C#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 C28H28N4OS MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS/c1-2-17-11-13-18(14-12-17)25-21(16-30)27(31)32(22-8-6-9-23(33)26(22)25)28-20(15-29)19-7-4-3-5-10-24(19)34-28/h11-14,25H,2-10,31H2,1H3InChIKey
YRNMWOAWPRSULP-UHFFFAOYSA-NSynonyms
312266-40-32amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4ethylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4ethylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
312266403
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC28H28N4OSc1217111318(141217)2521(1630)27(31)32(2286923(33)26(22)25)2820(1529)1974351024(19)3428h111425H21031H21H3
MFCD01240691
ZINC000002188858
ZINC000002188859
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