Vitas-M small molecule compound
3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one
Catalog ID
STK734505
SMILES Nc1n(Cc2ccccc2)c(=O)c2c(c1c1cccs1)ccc(c2)[N+](=O)[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 C20H15N3O3S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O3S/c21-19-18(17-7-4-10-27-17)15-9-8-14(23(25)26)11-16(15)20(24)22(19)12-13-5-2-1-3-6-13/h1-11H,12,21H2InChIKey
KVPPDBKACGPXEV-UHFFFAOYSA-NSynonyms
2HISOQUINOLIN1ONE3AMINO2BENZYL7NITRO4THIOPHEN2YL
3amino2benzyl7nitro4(thiophen2yl)isoquinolin1(2H)one
3AMINO2BENZYL7NITRO4THIOPHEN2YLISOQUINOLIN1ONE
3AMINO7NITRO2BENZYL4(2THIENYL)2HYDROISOQUINOLIN1ONE
C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))C4=CC=CS4)N
InChI=1SC20H15N3O3Sc211918(1774102717)159814(23(25)26)1116(15)20(24)22(19)12135213613h111H1221H2
MFCD03763565
Nc1n(Cc2ccccc2)c(=O)c2c(c1c1cccs1)ccc(c2)(N+)(=O)(O)
ZINC000001064286
ZINC01064286
ZINC1064286
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