Vitas-M small molecule compound

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

Catalog ID
STK095254
SMILES COC(=O)/C(=c\1/[nH]c2ccccc2oc1=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 C17H15NO8 MW 361.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO8/c1-23-12(19)8-9(15(20)24-2)13(16(21)25-3)14-17(22)26-11-7-5-4-6-10(11)18-14/h4-8,18H,1-3H3/b9-8-,14-13+
InChIKey
DVNLDWSFPOVJCO-NRSBDZSJSA-N
Synonyms

(1Z3E)trimethyl3(2oxo2Hbenzo(b)(14)oxazin3(4H)ylidene)prop1ene123tricarboxylate
COC(=O)C(=c1(nH)c2ccccc2oc1=O)C(=CC(=O)OC)C(=O)OC
COC(=O)C=C(C(=C1C(=O)OC2=CC=CC=C2N1)C(=O)OC)C(=O)OC
DIMETHYL(3Z)3(METHOXYCARBONYL)2(2OXO(4HBENZO(E)14OXAZIN3YLIDENE))PENT3ENE15DIOATE
InChI=1SC17H15NO8c12312(19)89(15(20)242)13(16(21)253)1417(22)2611754610(11)1814h4818H13H3b981413+
MFCD02922922
STK095254
TRIMETHYL(1Z3E)3(2OXO2H14BENZOXAZIN3(4H)YLIDENE)PROP1ENE123TRICARBOXYLATE
TRIMETHYL(Z3E)3(2OXO4H14BENZOXAZIN3YLIDENE)PROP1ENE123TRICARBOXYLATE
ZINC000004140858
ZINC04140858
ZINC4140858

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Available files

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