Vitas-M small molecule compound

1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide

Catalog ID
STK677726
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)Cl)nc3c1ccc(cc1)Br

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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 C29H24BrClN4O2 MW 575.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrClN4O2/c1-37-23-15-7-18(8-16-23)25-24-4-2-3-17-34-27(19-5-9-20(30)10-6-19)33-35(29(24)34)26(25)28(36)32-22-13-11-21(31)12-14-22/h5-16H,2-4,17H2,1H3,(H,32,36)
InChIKey
KBCQWIVQUMUUGG-UHFFFAOYSA-N
Synonyms
397266-40-9
1(4bromophenyl)N(4chlorophenyl)4(4methoxyphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carboxamide
397266409
COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)Br)C(=O)NC6=CC=C(C=C6)Cl
InChI=1SC29H24BrClN4O2c1372315718(81623)2524423173427(195920(30)10619)3335(29(24)34)26(25)28(36)3222131121(31)121422h516H2417H21H3(H3236)
MFCD02927096
ZINC000033353527
ZINC33353527

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Available files

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