Vitas-M small molecule compound
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Catalog ID
STK689536
SMILES N#Cc1c(N)nc2c(c1N)C(c1ccc(c(c1)OC)OC)C1=C(N2c2sc3c(c2C#N)CCCC3)CCCC1=O
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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 C30H28N6O3S MW 552.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O3S/c1-38-21-11-10-15(12-22(21)39-2)24-25-19(7-5-8-20(25)37)36(29-26(24)27(33)18(14-32)28(34)35-29)30-17(13-31)16-6-3-4-9-23(16)40-30/h10-12,24H,3-9H2,1-2H3,(H4,33,34,35)InChIKey
OAJIASGLDHFBFS-UHFFFAOYSA-NSynonyms
24diamino10(3cyano4567tetrahydro1benzothiophen2yl)5(34dimethoxyphenyl)6oxo5678910hexahydrobenzo(b)(18)naphthyridine3carbonitrile
24diamino10(3cyano4567tetrahydro1benzothiophen2yl)5(34dimethoxyphenyl)6oxo5789tetrahydrobenzo(b)(18)naphthyridine3carbonitrile
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=C(C(=N4)N)C#N)N)C5=C(C6=C(S5)CCCC6)C#N)OC
InChI=1SC30H28N6O3Sc13821111015(1222(21)392)242519(75820(25)37)36(2926(24)27(33)18(1432)28(34)3529)3017(1331)16634923(16)4030h101224H39H212H3(H4333435)
MFCD08532195
ZINC000100223884
ZINC000100223887
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