Vitas-M small molecule compound
2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Catalog ID
STK167440
SMILES N#CC1=C(N)OC2=C(C31c1cc(OC(=O)c4ccccc4)cc4c1N(C3=O)C(C)(C)CC4C)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 C32H31N3O5 MW 537.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O5/c1-17-13-31(4,5)35-26-20(17)11-19(39-28(37)18-9-7-6-8-10-18)12-21(26)32(29(35)38)22(16-33)27(34)40-24-15-30(2,3)14-23(36)25(24)32/h6-12,17H,13-15,34H2,1-5H3InChIKey
ZEVVVRFZKLBISH-UHFFFAOYSA-NSynonyms
2amino3cyano44677pentamethyl25dioxo556678hexahydro4Hspiro(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)CC(C6)(C)C)N)C#N)(C)C
InChI=1SC32H31N3O5c1171331(45)352620(17)1119(3928(37)1897681018)1221(26)32(29(35)38)22(1633)27(34)40241530(23)1423(36)25(24)32h61217H131534H215H3
MFCD04226361
ZINC000001118304
ZINC000001118309
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