Vitas-M small molecule compound

1-(4-ethoxyphenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

Catalog ID
STK574036
SMILES CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccccc1

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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 C32H31N3O2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2/c1-3-37-26-17-15-24(16-18-26)29-27-14-7-8-19-34-28(23-11-5-4-6-12-23)21-35(32(27)34)30(29)31(36)33-25-13-9-10-22(2)20-25/h4-6,9-13,15-18,20-21H,3,7-8,14,19H2,1-2H3,(H,33,36)
InChIKey
ZBCORRGKWWKFEQ-UHFFFAOYSA-N
Synonyms
896168-17-5
1(4ethoxyphenyl)4phenylN(mtolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
1(4ethoxyphenyl)N(3methylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168175
CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC=CC(=C6)C
InChI=1SC32H31N3O2c133726171524(161826)29271478193428(23115461223)2135(32(27)34)30(29)31(36)33251391022(2)2025h4691315182021H3781419H212H3(H3336)
MFCD06612868
ZINC000002359947
ZINC02359947
ZINC2359947

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Available files

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