Vitas-M small molecule compound
3-{[(E)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methylidene]amino}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK554294
SMILES Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/C1=CCC2CC1C2(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 C21H22N4O MW 346.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O/c1-12-4-7-17-15(8-12)18-19(24-17)20(26)25(11-22-18)23-10-13-5-6-14-9-16(13)21(14,2)3/h4-5,7-8,10-11,14,16,24H,6,9H2,1-3H3/b23-10+InChIKey
QXUHLDTWQDGQDK-AUEPDCJTSA-NSynonyms
840472-75-5(E)3(((66dimethylbicyclo(311)hept2en2yl)methylene)amino)8methyl3Hpyrimido(54b)indol4(5H)one
3(((E)(66dimethylbicyclo(311)hept2en2yl)methylidene)amino)8methyl35dihydro4Hpyrimido(54b)indol4one
3((E)(66dimethyl4bicyclo(311)hept3enyl)methylideneamino)8methyl5Hpyrimido(54b)indol4one
840472755
CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CCC5CC4C5(C)C
Cc1ccc2c(c1)c1ncn(c(=O)c1(nH)2)N=CC1=CCC2CC1C2(C)C
InChI=1SC21H22N4Oc112471715(812)1819(2417)20(26)25(112218)2310135614916(13)21(142)3h45781011141624H69H213H3b2310+
MFCD04005515
ZINC000101028099
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