Vitas-M small molecule compound
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK761297
SMILES N#CC1=c2[nH]c(=O)c3c(n2C2=C(C1c1ccccc1C)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 C29H29N3O2S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O2S/c1-16-9-7-8-10-17(16)23-19(15-30)26-31-27(34)24-18-11-5-4-6-12-22(18)35-28(24)32(26)20-13-29(2,3)14-21(33)25(20)23/h7-10,23H,4-6,11-14H2,1-3H3,(H,31,34)InChIKey
UDYTYKJWMGYDSI-UHFFFAOYSA-NSynonyms
22dimethyl5(2methylphenyl)48dioxo13457810111213decahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC=CC=C1C2C(=C3NC(=O)C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)C#N
InChI=1SC29H29N3O2Sc1169781017(16)2319(1530)263127(34)2418115461222(18)3528(24)32(26)201329(23)1421(33)25(20)23h71023H461114H213H3(H3134)
MFCD01821009
N#CC1=c2(nH)c(=O)c3c(n2C2=C(C1c1ccccc1C)C(=O)CC(C2)(C)C)sc1c3CCCCC1
ZINC000002185997
ZINC000002185998
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