Vitas-M small molecule compound
7-methoxy-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
STL344653
SMILES COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/C1CC2=C(CC1C)CCCC2(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 C25H30N4O2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2/c1-15-10-16-6-5-9-25(2,3)20(16)11-17(15)13-27-29-14-26-22-19-8-7-18(31-4)12-21(19)28-23(22)24(29)30/h7-8,12-15,17,28H,5-6,9-11H2,1-4H3/b27-13+InChIKey
LJUWURFVJHIWJY-UVHMKAGCSA-NSynonyms
847270-10-4(E)7methoxy3(((388trimethyl12345678octahydronaphthalen2yl)methylene)amino)3Hpyrimido(54b)indol4(5H)one
7methoxy3(((E)(388trimethyl12345678octahydronaphthalen2yl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
7methoxy3((E)(388trimethyl234567hexahydro1Hnaphthalen2yl)methylideneamino)5Hpyrimido(54b)indol4one
847270104
CC1CC2=C(CC1C=NN3C=NC4=C(C3=O)NC5=C4C=CC(=C5)OC)C(CCC2)(C)C
COc1ccc2c(c1)(nH)c1c2ncn(c1=O)N=CC1CC2=C(CC1C)CCCC2(C)C
InChI=1SC25H30N4O2c115101665925(23)20(16)1117(15)132729142622198718(314)1221(19)2823(22)24(29)30h7812151728H56911H214H3b2713+
MFCD04179066
ZINC000005156809
ZINC000005156814
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