Vitas-M small molecule compound

8-chloro-2-methyl-3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Catalog ID
STK541533
SMILES Clc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)[N+](=O)[O-]

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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 C18H12ClN5O3 MW 381.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN5O3/c1-10-21-16-14-8-12(19)4-7-15(14)22-17(16)18(25)23(10)20-9-11-2-5-13(6-3-11)24(26)27/h2-9,22H,1H3/b20-9+
InChIKey
BAQHSNLEZUPSIN-AWQFTUOYSA-N
Synonyms
497076-10-5
(E)8chloro2methyl3((4nitrobenzylidene)amino)3Hpyrimido(54b)indol4(5H)one
497076105
8chloro2methyl3(((E)(4nitrophenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
8CHLORO2METHYL3((E)(4NITROPHENYL)METHYLIDENEAMINO)5HPYRIMIDO(54B)INDOL4ONE
CC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)(N+)(=O)(O))NC4=C2C=C(C=C4)Cl
Clc1ccc2c(c1)c1nc(C)n(c(=O)c1(nH)2)N=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H12ClN5O3c110211614812(19)4715(14)2217(16)18(25)23(10)209112513(6311)24(26)27h2922H1H3b209+
MFCD01327549
ZINC000002311529
ZINC33352731

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Available files

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