Vitas-M small molecule compound
5-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-tetrazol-5-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL007420
SMILES COc1c2OCOc2cc2c1C(N(CC2)C)c1nnnn1C(C(C)(C)C)/C=C/c1ccc(cc1Cl)Cl
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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 C26H29Cl2N5O3 MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29Cl2N5O3/c1-26(2,3)20(9-7-15-6-8-17(27)13-18(15)28)33-25(29-30-31-33)22-21-16(10-11-32(22)4)12-19-23(24(21)34-5)36-14-35-19/h6-9,12-13,20,22H,10-11,14H2,1-5H3/b9-7+InChIKey
MPVUVOBRYCOPDY-VQHVLOKHSA-NSynonyms
859665-40-0(E)5(1(1(24dichlorophenyl)44dimethylpent1en3yl)1Htetrazol5yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(1((1E)1(24dichlorophenyl)44dimethylpent1en3yl)1Htetrazol5yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(1((E)1(24DICHLOROPHENYL)44DIMETHYLPENT1EN3YL)TETRAZOL5YL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
859665400
CC(C)(C)C(C=CC1=C(C=C(C=C1)Cl)Cl)N2C(=NN=N2)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC
COc1c2OCOc2cc2c1C(N(CC2)C)c1nnnn1C(C(C)(C)C)C=Cc1ccc(cc1Cl)Cl
InChI=1SC26H29Cl2N5O3c126(23)20(97156817(27)1318(15)28)3325(29303133)222116(101132(22)4)121923(24(21)345)36143519h6912132022H101114H215H3b97+
MFCD06495701
ZINC000070707735
ZINC000070707745
Check stock
See real-time availability and sample size for STL007420 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.