Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL323675
SMILES N#CC1=C(N)OC2=C(C1c1ccc(s1)[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)5-9(20)14-10(6-16)23-15(18)8(7-17)13(14)11-3-4-12(24-11)19(21)22/h3-4,13H,5-6,18H2,1-2H3InChIKey
NPIYJAMJTRVSRS-UHFFFAOYSA-NSynonyms
299200-82-1299200821
2AMINO77DIMETHYL4(5NITRO(2THIENYL))5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino77dimethyl4(5nitrothiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(S3)(N+)(=O)(O))C(=O)C1)C
InChI=1SC16H15N3O4Sc116(2)59(20)1410(616)2315(18)8(717)13(14)113412(2411)19(21)22h3413H5618H212H3
MFCD00473063
N#CC1=C(N)OC2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000000354939
ZINC000000354940
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