Vitas-M small molecule compound
8-bromo-3-{[(E)-(3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL349459
SMILES CC1CC2=C(CC1/C=N/n1cnc3c(c1=O)[nH]c1c3cc(cc1)Br)C(CCC2)(C)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 C24H27BrN4O MW 467.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN4O/c1-14-9-15-5-4-8-24(2,3)19(15)10-16(14)12-27-29-13-26-21-18-11-17(25)6-7-20(18)28-22(21)23(29)30/h6-7,11-14,16,28H,4-5,8-10H2,1-3H3/b27-12+InChIKey
VAZLUDCPUSTMNI-KKMKTNMSSA-NSynonyms
(E)8bromo3(((388trimethyl12345678octahydronaphthalen2yl)methylene)amino)3Hpyrimido(54b)indol4(5H)one
8bromo3(((E)(388trimethyl12345678octahydronaphthalen2yl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
8bromo3((E)(388trimethyl234567hexahydro1Hnaphthalen2yl)methylideneamino)5Hpyrimido(54b)indol4one
CC1CC2=C(CC1C=Nn1cnc3c(c1=O)(nH)c1c3cc(cc1)Br)C(CCC2)(C)C
CC1CC2=C(CC1C=NN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br)C(CCC2)(C)C
InChI=1SC24H27BrN4Oc11491554824(23)19(15)1016(14)122729132621181117(25)6720(18)2822(21)23(29)30h6711141628H45810H213H3b2712+
MFCD02925624
ZINC000013811689
ZINC000013811692
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