Vitas-M small molecule compound
8-fluoro-3-{[(E)-(2,4,6-trimethylcyclohex-3-en-1-yl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL346263
SMILES CC1=CC(C(C(C1)C)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)F)C
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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 C20H21FN4O MW 352.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4O/c1-11-6-12(2)16(13(3)7-11)9-23-25-10-22-18-15-8-14(21)4-5-17(15)24-19(18)20(25)26/h4-6,8-10,12-13,16,24H,7H2,1-3H3/b23-9+InChIKey
PNOVVDRHHMKFHS-NUGSKGIGSA-NSynonyms
1009231-73-5(E)8fluoro3(((246trimethylcyclohex3en1yl)methylene)amino)3Hpyrimido(54b)indol4(5H)one
1009231735
8fluoro3(((E)(246trimethylcyclohex3en1yl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
8fluoro3((E)(246trimethylcyclohex3en1yl)methylideneamino)5Hpyrimido(54b)indol4one
CC1=CC(C(C(C1)C)C=Nn1cnc2c(c1=O)(nH)c1c2cc(cc1)F)C
CC1CC(=CC(C1C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)C)C
InChI=1SC20H21FN4Oc111612(2)16(13(3)711)9232510221815814(21)4517(15)2419(18)20(25)26h4681012131624H7H213H3b239+
MFCD02234951
ZINC000005277610
ZINC000226858309
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