Vitas-M small molecule compound

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

Catalog ID
STK597215
SMILES CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1cccc(c1)C)cc3c1ccc(c(c1)C)C

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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 C34H35N3O MW 501.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O/c1-5-25-13-16-26(17-14-25)31-29-11-6-7-18-36-30(27-15-12-23(3)24(4)20-27)21-37(34(29)36)32(31)33(38)35-28-10-8-9-22(2)19-28/h8-10,12-17,19-21H,5-7,11,18H2,1-4H3,(H,35,38)
InChIKey
QQCJMWZIGAEWIW-UHFFFAOYSA-N
Synonyms
896829-43-9
4(34dimethylphenyl)1(4ethylphenyl)N(3methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
4(34dimethylphenyl)1(4ethylphenyl)N(mtolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896829439
CCC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC(=C(C=C5)C)C)C(=O)NC6=CC=CC(=C6)C
InChI=1SC34H35N3Oc1525131626(171425)31291167183630(27151223(3)24(4)2027)2137(34(29)36)32(31)33(38)3528108922(2)1928h81012171921H571118H214H3(H3538)
MFCD06599312
ZINC000002218388
ZINC02218388
ZINC2218388

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.