Vitas-M small molecule compound

2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide

Catalog ID
STK120629
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1

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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 C26H22N6O3S MW 498.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O3S/c1-2-22(25(33)27-18-12-14-19(15-13-18)32(34)35)36-26-28-24-23(29-30-26)20-10-6-7-11-21(20)31(24)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3,(H,27,33)
InChIKey
FGJQZOHRXXMXLC-UHFFFAOYSA-N
Synonyms
312510-21-7
2((5BENZYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
2((5BENZYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
312510217
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1
InChI=1SC26H22N6O3Sc1222(25(33)2718121419(151318)32(34)35)3626282423(293026)2010671121(20)31(24)16178435917h31522H216H21H3(H2733)
MFCD01461593
ZINC000008854078
ZINC000008855040

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Available files

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