Vitas-M small molecule compound
2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-4'H,5H-spiro[pyrano[3,2-c]chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Catalog ID
STK167434
SMILES N#CC1=C(N)Oc2c(C31c1cc(OC(=O)c4ccccc4)cc4c1N(C3=O)C(C)(C)CC4C)c(=O)oc1c2cccc1
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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 C33H25N3O6 MW 559.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O6/c1-17-15-32(2,3)36-26-21(17)13-19(40-29(37)18-9-5-4-6-10-18)14-22(26)33(31(36)39)23(16-34)28(35)42-27-20-11-7-8-12-24(20)41-30(38)25(27)33/h4-14,17H,15,35H2,1-3H3InChIKey
UKJAZFAFJOEYEB-UHFFFAOYSA-NSynonyms
2AMINO3CYANO446TRIMETHYL25DIOXO56DIHYDRO4H5HSPIRO(PYRANO(32C)CHROMENE41PYRROLO(321IJ)QUINOLIN)8YLBENZOATE
CC1CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CC=C4)C5(C2=O)C(=C(OC6=C5C(=O)OC7=CC=CC=C76)N)C#N)(C)C
InChI=1SC33H25N3O6c1171532(23)362621(17)1319(4029(37)1895461018)1422(26)33(31(36)39)23(1634)28(35)42272011781224(20)4130(38)25(27)33h41417H1535H213H3
MFCD04226360
ZINC000001460191
ZINC000100121950
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