Vitas-M small molecule compound
3-{[(E)-(4-butoxyphenyl)methylidene]amino}-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK544912
SMILES CCCCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl
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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 C21H19ClN4O2 MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2/c1-2-3-10-28-16-7-4-14(5-8-16)12-24-26-13-23-19-17-11-15(22)6-9-18(17)25-20(19)21(26)27/h4-9,11-13,25H,2-3,10H2,1H3/b24-12+InChIKey
FKRNVYLTZIOMQQ-WYMPLXKRSA-NSynonyms
487022-76-4(E)3((4butoxybenzylidene)amino)8chloro3Hpyrimido(54b)indol4(5H)one
3(((E)(4butoxyphenyl)methylidene)amino)8chloro35dihydro4Hpyrimido(54b)indol4one
3((E)(4BUTOXYPHENYL)METHYLIDENEAMINO)8CHLORO5HPYRIMIDO(54B)INDOL4ONE
487022764
CCCCOC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl
CCCCOc1ccc(cc1)C=Nn1cnc2c(c1=O)(nH)c1c2cc(cc1)Cl
InChI=1SC21H19ClN4O2c1231028167414(5816)122426132319171115(22)6918(17)2520(19)21(26)27h49111325H2310H21H3b2412+
MFCD03286486
ZINC000002321029
ZINC2321028
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