Vitas-M small molecule compound

trimethyl (1Z,3Z)-3-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate

Catalog ID
STK134235
SMILES COC(=O)/C(=c/1\[nH]c2cc(C)ccc2oc1=O)/C(=C/C(=O)OC)/C(=O)OC

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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 C18H17NO8 MW 375.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO8/c1-9-5-6-12-11(7-9)19-15(18(23)27-12)14(17(22)26-4)10(16(21)25-3)8-13(20)24-2/h5-8,19H,1-4H3/b10-8-,15-14-
InChIKey
HXBCGSLCKJPPGE-VRFDNOBASA-N
Synonyms
102718-34-3
(1Z3Z)trimethyl3(6methyl2oxo2Hbenzo(b)(14)oxazin3(4H)ylidene)prop1ene123tricarboxylate
102718343
CC1=CC2=C(C=C1)OC(=O)C(=C(C(=CC(=O)OC)C(=O)OC)C(=O)OC)N2
COC(=O)C(=c1(nH)c2cc(C)ccc2oc1=O)C(=CC(=O)OC)C(=O)OC
DIMETHYL(3Z)3(METHOXYCARBONYL)2(6METHYL2OXO(4HBENZO(E)14OXAZIN3YLIDENE))PENT3ENE15DIOATE
InChI=1SC18H17NO8c19561211(79)1915(18(23)2712)14(17(22)264)10(16(21)253)813(20)242h5819H14H3b1081514
MFCD03871867
TRIMETHYL(1Z3Z)3(6METHYL2OXO2H14BENZOXAZIN3(4H)YLIDENE)PROP1ENE123TRICARBOXYLATE
TRIMETHYL(Z3Z)3(6METHYL2OXO4H14BENZOXAZIN3YLIDENE)PROP1ENE123TRICARBOXYLATE
ZINC000100120404
ZINC04677761
ZINC100120404

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Available files

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