Vitas-M small molecule compound
8-chloro-2-hydroxy-3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL039070
SMILES COc1ccc(cc1CN1CCCC1)/C=N/n1c(O)nc2c(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 C23H22ClN5O3 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O3/c1-32-19-7-4-14(10-15(19)13-28-8-2-3-9-28)12-25-29-22(30)21-20(27-23(29)31)17-11-16(24)5-6-18(17)26-21/h4-7,10-12,26H,2-3,8-9,13H2,1H3,(H,27,31)/b25-12+InChIKey
FDCPSIIGRRAQJR-BRJLIKDPSA-NSynonyms
674360-96-4674360964
8chloro2hydroxy3(((E)(4methoxy3(pyrrolidin1ylmethyl)phenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
8chloro3((E)(4methoxy3(pyrrolidin1ylmethyl)phenyl)methylideneamino)15dihydropyrimido(54b)indole24dione
COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)NC2=O)CN5CCCC5
COc1ccc(cc1CN1CCCC1)C=Nn1c(O)nc2c(c1=O)(nH)c1c2cc(cc1)Cl
InChI=1SC23H22ClN5O3c132197414(1015(19)1328823928)12252922(30)2120(2723(29)31)171116(24)5618(17)2621h47101226H238913H21H3(H2731)b2512+
MFCD04076399
ZINC000020264703
ZINC33330881
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