Vitas-M small molecule compound
N'-[(E)-naphthalen-1-ylmethylidene]-1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carbohydrazide
Catalog ID
STK673671
SMILES CCCS(=O)(=O)c1c(C(=O)N/N=C/c2cccc3c2cccc3)n2c(c1S(=O)(=O)CCC)c1ccccc1cc2
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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 C30H29N3O5S2 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5S2/c1-3-18-39(35,36)28-26-25-15-8-6-11-22(25)16-17-33(26)27(29(28)40(37,38)19-4-2)30(34)32-31-20-23-13-9-12-21-10-5-7-14-24(21)23/h5-17,20H,3-4,18-19H2,1-2H3,(H,32,34)/b31-20+InChIKey
QTELMZFMPQDARN-AJBULDERSA-NSynonyms
CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)NN=CC4=CC=CC5=CC=CC=C54
CCCS(=O)(=O)c1c(C(=O)NN=Cc2cccc3c2cccc3)n2c(c1S(=O)(=O)CCC)c1ccccc1cc2
InChI=1SC30H29N3O5S2c131839(3536)28262515861122(25)161733(26)27(29(28)40(3738)1942)30(34)32312023139122110571424(21)23h51720H341819H212H3(H3234)b3120+
MFCD01152789
N((E)naphthalen1ylmethylidene)12bis(propylsulfonyl)pyrrolo(21a)isoquinoline3carbohydrazide
N((E)naphthalen1ylmethylideneamino)12bis(propylsulfonyl)pyrrolo(21a)isoquinoline3carboxamide
ZINC000003664244
ZINC4456380
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