Vitas-M small molecule compound

2-amino-7,7-dimethyl-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK746817
SMILES N#CC1=C(N)OC2=C(C1c1scc(c1)[N+](=O)[O-])C(=O)CC(C2)(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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-16(2)4-10(20)14-11(5-16)23-15(18)9(6-17)13(14)12-3-8(7-24-12)19(21)22/h3,7,13H,4-5,18H2,1-2H3
InChIKey
CMUTTYSKFGUINF-UHFFFAOYSA-N
Synonyms

2AMINO77DIMETHYL4(4NITRO(2THIENYL))5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino77dimethyl4(4nitrothiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL4(4NITROTHIOPHEN2YL)5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)(N+)(=O)(O))C(=O)C1)C
InChI=1SC16H15N3O4Sc116(2)410(20)1411(516)2315(18)9(617)13(14)1238(72412)19(21)22h3713H4518H212H3
MFCD00473098
N#CC1=C(N)OC2=C(C1c1scc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000000120736
ZINC000000120739

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Available files

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