Vitas-M small molecule compound

7-(butylsulfanyl)-2-methyl-5-nitroquinazolin-4(3H)-one

Catalog ID
STK689092
SMILES CCCCSc1cc2nc(C)[nH]c(=O)c2c(c1)[N+](=O)[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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-3-4-5-20-9-6-10-12(11(7-9)16(18)19)13(17)15-8(2)14-10/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKey
NAIOOHFTJMRBOK-UHFFFAOYSA-N
Synonyms

7(butylsulfanyl)2methyl5nitroquinazolin4(3H)one
7BUTYLSULFANYL2METHYL5NITRO1HQUINAZOLIN4ONE
7BUTYLTHIO2METHYL5NITRO3HYDROQUINAZOLIN4ONE
CCCCSC1=CC(=C2C(=C1)NC(=NC2=O)C)(N+)(=O)(O)
CCCCSc1cc2nc(C)(nH)c(=O)c2c(c1)(N+)(=O)(O)
InChI=1SC13H15N3O3Sc134520961012(11(79)16(18)19)13(17)158(2)1410h67H35H212H3(H141517)
MFCD07800362
ZINC000004632414
ZINC04632414
ZINC4632414

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Available files

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