Vitas-M small molecule compound
2-amino-3-cyano-4',4',6',7-tetramethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 4-bromobenzoate
Catalog ID
STK167432
SMILES N#CC1=C(N)Oc2c(C31c1cc(cc4c1N(C3=O)C(C)(C)C=C4C)OC(=O)c1ccc(cc1)Br)c(=O)oc(c2)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 C30H22BrN3O6 MW 600.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22BrN3O6/c1-14-12-29(3,4)34-24-19(14)10-18(39-26(35)16-5-7-17(31)8-6-16)11-20(24)30(28(34)37)21(13-32)25(33)40-22-9-15(2)38-27(36)23(22)30/h5-12H,33H2,1-4H3InChIKey
POBJRQZDZLSQRH-UHFFFAOYSA-NSynonyms
2amino3cyano4467tetramethyl25dioxo4H5Hspiro(pyrano(43b)pyran41pyrrolo(321ij)quinolin)8yl4bromobenzoate
CC1=CC2=C(C(=O)O1)C3(C4=C5C(=CC(=C4)OC(=O)C6=CC=C(C=C6)Br)C(=CC(N5C3=O)(C)C)C)C(=C(O2)N)C#N
InChI=1SC30H22BrN3O6c1141229(34)342419(14)1018(3926(35)165717(31)8616)1120(24)30(28(34)37)21(1332)25(33)4022915(2)3827(36)23(22)30h512H33H214H3
MFCD04226358
ZINC000100121932
ZINC000100121937
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