Vitas-M small molecule compound
2-amino-4-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388368
SMILES CCOc1cc(ccc1OCc1cccc2c1cccc2)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#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 C31H30N2O4 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4/c1-4-35-26-14-20(12-13-25(26)36-18-21-10-7-9-19-8-5-6-11-22(19)21)28-23(17-32)30(33)37-27-16-31(2,3)15-24(34)29(27)28/h5-14,28H,4,15-16,18,33H2,1-3H3InChIKey
ACXYRMQWMRCKJR-UHFFFAOYSA-NSynonyms
2amino4(3ethoxy4(naphthalen1ylmethoxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3ETHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=CC=CC5=CC=CC=C54
InChI=1SC31H30N2O4c1435261420(121325(26)3618211079198561122(19)21)2823(1732)30(33)37271631(23)1524(34)29(27)28h51428H415161833H213H3
MFCD04151769
ZINC000008438233
ZINC000008438234
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