Vitas-M small molecule compound
8-amino-2,2-dimethyl-4-oxo-5-(pyridin-3-yl)-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
STK761157
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)sc1c3CCCCC1
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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 C27H27N5OS MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5OS/c1-27(2)11-18-23(19(33)12-27)21(15-7-6-10-30-14-15)17(13-28)25-31-24(29)22-16-8-4-3-5-9-20(16)34-26(22)32(18)25/h6-7,10,14,21H,3-5,8-9,11-12H2,1-2H3,(H2,29,31)InChIKey
IGOQIKUZPGVCQH-UHFFFAOYSA-NSynonyms
8amino22dimethyl4oxo5(pyridin3yl)134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1(CC2=C(C(C(=C3N2C4=C(C5=C(S4)CCCCC5)C(=N3)N)C#N)C6=CN=CC=C6)C(=O)C1)C
InChI=1SC27H27N5OSc127(2)111823(19(33)1227)21(157610301415)17(1328)253124(29)22168435920(16)3426(22)32(18)25h67101421H35891112H212H3(H22931)
MFCD01820678
ZINC000000716671
ZINC000000716672
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