Vitas-M small molecule compound
2,4-diamino-5-(3-bromophenyl)-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Catalog ID
STK695630
SMILES N#Cc1c(N)nc2c(c1N)C(c1cccc(c1)Br)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 C28H23BrN6OS MW 571.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN6OS/c29-15-6-3-5-14(11-15)22-23-19(8-4-9-20(23)36)35(27-24(22)25(32)18(13-31)26(33)34-27)28-17(12-30)16-7-1-2-10-21(16)37-28/h3,5-6,11,22H,1-2,4,7-10H2,(H4,32,33,34)InChIKey
VQOVTCOHXVBZQL-UHFFFAOYSA-NSynonyms
24diamino5(3bromophenyl)10(3cyano4567tetrahydro1benzothiophen2yl)6oxo5678910hexahydrobenzo(b)(18)naphthyridine3carbonitrile
24diamino5(3bromophenyl)10(3cyano4567tetrahydro1benzothiophen2yl)6oxo5789tetrahydrobenzo(b)(18)naphthyridine3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C4=C(C(C5=C3N=C(C(=C5N)C#N)N)C6=CC(=CC=C6)Br)C(=O)CCC4)C#N
InChI=1SC28H23BrN6OSc291563514(1115)222319(84920(23)36)35(2724(22)25(32)18(1331)26(33)3427)2817(1230)167121021(16)3728h3561122H124710H2(H4323334)
MFCD18075416
ZINC000100247481
ZINC000100247484
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