Vitas-M small molecule compound
2-amino-7-hydroxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-chromene-3-carbonitrile
Catalog ID
STL434049
SMILES N#CC1=C(N)Oc2c(C1c1cc3OCCOc3c(c1)[N+](=O)[O-])ccc(c2)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 C18H13N3O6 MW 367.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6/c19-8-12-16(11-2-1-10(22)7-14(11)27-18(12)20)9-5-13(21(23)24)17-15(6-9)25-3-4-26-17/h1-2,5-7,16,22H,3-4,20H2InChIKey
GHLMFHBVNZKXNY-UHFFFAOYSA-NSynonyms
2amino7hydroxy4(5nitro23dihydro14benzodioxin7yl)4Hchromene3carbonitrile
2amino7hydroxy4(8nitro23dihydro14benzodioxin6yl)4Hchromene3carbonitrile
C1COC2=C(C=C(C=C2O1)C3C4=C(C=C(C=C4)O)OC(=C3C#N)N)(N+)(=O)(O)
InChI=1SC18H13N3O6c1981216(112110(22)714(11)2718(12)20)9513(21(23)24)1715(69)25342617h12571622H3420H2
MFCD26098410
N#CC1=C(N)Oc2c(C1c1cc3OCCOc3c(c1)(N+)(=O)(O))ccc(c2)O
ZINC000085408734
ZINC000085408738
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