Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK762364
SMILES N#CC1=C(N)OC2=C(C1c1ccc3c(c1[N+](=O)[O-])OCO3)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 C19H17N3O6 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6/c1-19(2)5-11(23)15-13(6-19)28-18(21)10(7-20)14(15)9-3-4-12-17(27-8-26-12)16(9)22(24)25/h3-4,14H,5-6,8,21H2,1-2H3InChIKey
VRAIGTCMFMCCRX-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(4nitro13benzodioxol5yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL4(4NITRO13BENZODIOXOL5YL)5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C4=C(C=C3)OCO4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC19H17N3O6c119(2)511(23)1513(619)2818(21)10(720)14(15)9341217(2782612)16(9)22(24)25h3414H56821H212H3
MFCD01872899
N#CC1=C(N)OC2=C(C1c1ccc3c(c1(N+)(=O)(O))OCO3)C(=O)CC(C2)(C)C
ZINC000001437164
ZINC000001437165
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