Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757120
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)C(=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 C28H28N4O3S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S/c1-34-22-12-11-16(13-23(22)35-2)25-19(15-30)27(31)32(20-8-6-9-21(33)26(20)25)28-18(14-29)17-7-4-3-5-10-24(17)36-28/h11-13,25H,3-10,31H2,1-2H3InChIKey
VPYGBEQKJSBANC-UHFFFAOYSA-NSynonyms
312266-37-82amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(34dimethoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(34dimethoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
312266378
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N)OC
InChI=1SC28H28N4O3Sc13422121116(1323(22)352)2519(1530)27(31)32(2086921(33)26(20)25)2818(1429)1774351024(17)3628h111325H31031H212H3
MFCD01240665
ZINC000000714753
ZINC000000714754
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