Vitas-M small molecule compound

2,2-dimethyl-4,8-dioxo-5-phenyl-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile

Catalog ID
STK760622
SMILES N#CC1=c2[nH]c(=O)c3c(n2C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)sc1c3CCCC1

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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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c1-27(2)12-18-23(19(31)13-27)21(15-8-4-3-5-9-15)17(14-28)24-29-25(32)22-16-10-6-7-11-20(16)33-26(22)30(18)24/h3-5,8-9,21H,6-7,10-13H2,1-2H3,(H,29,32)
InChIKey
LKWPSZVVMVKKHJ-UHFFFAOYSA-N
Synonyms

22dimethyl48dioxo5phenyl1345789101112decahydro2H(1)benzothieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1(CC2=C(C(C(=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3)C#N)C6=CC=CC=C6)C(=O)C1)C
InChI=1SC27H25N3O2Sc127(2)121823(19(31)1327)21(158435915)17(1428)242925(32)221610671120(16)3326(22)30(18)24h358921H671013H212H3(H2932)
MFCD01822043
N#CC1=c2(nH)c(=O)c3c(n2C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)sc1c3CCCC1
ZINC000000708333
ZINC000000708334

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Available files

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