Vitas-M small molecule compound

2,4-diamino-8,8-dimethyl-10-(naphthalen-1-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile

Catalog ID
STK686697
SMILES N#Cc1c(N)nc2c(c1N)C(c1cccc(c1)[N+](=O)[O-])C1=C(N2c2cccc3c2cccc3)CC(CC1=O)(C)C

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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 C31H26N6O3 MW 530.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O3/c1-31(2)14-23-26(24(38)15-31)25(18-9-5-10-19(13-18)37(39)40)27-28(33)21(16-32)29(34)35-30(27)36(23)22-12-6-8-17-7-3-4-11-20(17)22/h3-13,25H,14-15H2,1-2H3,(H4,33,34,35)
InChIKey
CCIIBJNRSSJCOO-UHFFFAOYSA-N
Synonyms

24diamino88dimethyl10(naphthalen1yl)5(3nitrophenyl)6oxo5678910hexahydrobenzo(b)(18)naphthyridine3carbonitrile
24DIAMINO88DIMETHYL10NAPHTHALEN1YL5(3NITROPHENYL)6OXO79DIHYDRO5HBENZO(B)(18)NAPHTHYRIDINE3CARBONITRILE
CC1(CC2=C(C(C3=C(N2C4=CC=CC5=CC=CC=C54)N=C(C(=C3N)C#N)N)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1)C
InChI=1SC31H26N6O3c131(2)142326(24(38)1531)25(18951019(1318)37(39)40)2728(33)21(1632)29(34)3530(27)36(23)221268177341120(17)22h31325H1415H212H3(H4333435)
MFCD06017058
N#Cc1c(N)nc2c(c1N)C(c1cccc(c1)(N+)(=O)(O))C1=C(N2c2cccc3c2cccc3)CC(CC1=O)(C)C
ZINC000098008028
ZINC000098008029

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Available files

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