Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-{4-[(4-methylbenzyl)oxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173082
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)C)C(=O)CC(C2)(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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-15-4-6-16(7-5-15)14-33-21-9-8-17(10-19(21)29(31)32)23-18(13-27)25(28)34-22-12-26(2,3)11-20(30)24(22)23/h4-10,23H,11-12,14,28H2,1-3H3InChIKey
SWVFAZFGDUSADV-UHFFFAOYSA-NSynonyms
398136-29-32amino77dimethyl4(4((4methylbenzyl)oxy)3nitrophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL4(4((4METHYLPHENYL)METHOXY)3NITROPHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2AMINO77DIMETHYL4(4((4METHYLPHENYL)METHOXY)3NITROPHENYL)5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
398136293
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)(N+)(=O)(O)
InChI=1SC26H25N3O5c1154616(7515)1433219817(1019(21)29(31)32)2318(1327)25(28)34221226(23)1120(30)24(22)23h41023H11121428H213H3
MFCD02175314
N#CC1=C(N)OC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)C)C(=O)CC(C2)(C)C
ZINC000001085013
ZINC000001085014
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