Vitas-M small molecule compound
3,3'-{[4-(6,6-dimethyl-3-methylidene-8-oxo-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl)phenyl]imino}dipropanenitrile
Catalog ID
STK361672
SMILES N#CCCN(c1ccc(cc1)C1CC(=C)CC2=C1C(=O)CC(C2)(C)C)CCC#N
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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 C25H29N3O MW 387.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O/c1-18-14-20-16-25(2,3)17-23(29)24(20)22(15-18)19-6-8-21(9-7-19)28(12-4-10-26)13-5-11-27/h6-9,22H,1,4-5,12-17H2,2-3H3InChIKey
ZQRVFALNROUUGX-UHFFFAOYSA-NSynonyms
3(N(2cyanoethyl)4(66dimethyl3methylidene8oxo2457tetrahydro1Hnaphthalen1yl)anilino)propanenitrile
33((4(66dimethyl3methylidene8oxo12345678octahydronaphthalen1yl)phenyl)imino)dipropanenitrile
CC1(CC2=C(C(CC(=C)C2)C3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)C1)C
InChI=1SC25H29N3Oc11814201625(23)1723(29)24(20)22(1518)196821(9719)28(1241026)1351127h6922H1451217H223H3
MFCD11852773
ZINC000020120578
ZINC000020120579
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