Vitas-M small molecule compound
6-amino-5-cyano-3,4',4',6'-tetramethyl-2'-oxo-5',6'-dihydro-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Catalog ID
STK167446
SMILES N#CC1=C(N)Oc2c(C31c1cc(OC(=O)c4ccccc4)cc4c1N(C3=O)C(C)(C)CC4C)c(C)n[nH]2
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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 C28H25N5O4 MW 495.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4/c1-14-12-27(3,4)33-22-18(14)10-17(36-25(34)16-8-6-5-7-9-16)11-19(22)28(26(33)35)20(13-29)23(30)37-24-21(28)15(2)31-32-24/h5-11,14H,12,30H2,1-4H3,(H,31,32)InChIKey
IAMLKABNJQRNGV-UHFFFAOYSA-NSynonyms
6amino5cyano3446tetramethyl2oxo56dihydro1H4Hspiro(pyrano(23c)pyrazole41pyrrolo(321ij)quinolin)8ylbenzoate
CC1CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CC=C4)C5(C2=O)C(=C(OC6=NNC(=C56)C)N)C#N)(C)C
InChI=1SC28H25N5O4c1141227(34)332218(14)1017(3625(34)168657916)1119(22)28(26(33)35)20(1329)23(30)372421(28)15(2)313224h51114H1230H214H3(H3132)
MFCD04181378
N#CC1=C(N)Oc2c(C31c1cc(OC(=O)c4ccccc4)cc4c1N(C3=O)C(C)(C)CC4C)c(C)n(nH)2
ZINC000009846914
ZINC000009846917
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