Vitas-M small molecule compound

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

Catalog ID
STK120525
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc2c(n1)n(CC)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 C21H20N6O3S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3S/c1-3-17(20(28)22-13-9-11-14(12-10-13)27(29)30)31-21-23-19-18(24-25-21)15-7-5-6-8-16(15)26(19)4-2/h5-12,17H,3-4H2,1-2H3,(H,22,28)
InChIKey
KGFWQCRYNMUOSC-UHFFFAOYSA-N
Synonyms
404914-89-2
2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
2((5ETHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(4NITROPHENYL)BUTANAMIDE
404914892
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nnc2c(n1)n(CC)c1c2cccc1
InChI=1SC21H20N6O3Sc1317(20(28)221391114(121013)27(29)30)3121231918(242521)15756816(15)26(19)42h51217H34H212H3(H2228)
MFCD02221815
ZINC000009805651
ZINC000009805864

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Available files

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