Vitas-M small molecule compound
8-amino-5-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK761063
SMILES CCOc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)n2c(=C1C#N)nc(c1c2sc2c1CCCCC2)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 C30H32N4O2S MW 512.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2S/c1-4-36-18-12-10-17(11-13-18)24-20(16-31)28-33-27(32)25-19-8-6-5-7-9-23(19)37-29(25)34(28)21-14-30(2,3)15-22(35)26(21)24/h10-13,24H,4-9,14-15H2,1-3H3,(H2,32,33)InChIKey
MCJQFZUEIVKIAX-UHFFFAOYSA-NSynonyms
8amino5(4ethoxyphenyl)22dimethyl4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CCOC1=CC=C(C=C1)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)N)C#N
InChI=1SC30H32N4O2Sc143618121017(111318)2420(1631)283327(32)25198657923(19)3729(25)34(28)211430(23)1522(35)26(21)24h101324H491415H213H3(H23233)
MFCD01820486
ZINC000003669705
ZINC000003669706
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