Vitas-M small molecule compound
3-amino-7-nitro-4-(pyrrolidin-1-ylcarbonyl)isoquinolin-1(2H)-one
Catalog ID
STK690759
SMILES O=C(c1c(N)[nH]c(=O)c2c1ccc(c2)[N+](=O)[O-])N1CCCC1
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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 C14H14N4O4 MW 302.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O4/c15-12-11(14(20)17-5-1-2-6-17)9-4-3-8(18(21)22)7-10(9)13(19)16-12/h3-4,7H,1-2,5-6H2,(H3,15,16,19)InChIKey
HBGPDQUPRJPKSD-UHFFFAOYSA-NSynonyms
3amino7nitro4(pyrrolidin1ylcarbonyl)isoquinolin1(2H)one
3amino7nitro4(pyrrolidine1carbonyl)2Hisoquinolin1one
3AMINO7NITRO4(PYRROLIDINYLCARBONYL)2HYDROISOQUINOLIN1ONE
C1CCN(C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)(N+)(=O)(O))N
InChI=1SC14H14N4O4c151211(14(20)17512617)9438(18(21)22)710(9)13(19)1612h347H1256H2(H3151619)
MFCD09064047
O=C(c1c(N)(nH)c(=O)c2c1ccc(c2)(N+)(=O)(O))N1CCCC1
ZINC000012375208
ZINC12375208
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