Vitas-M small molecule compound

hexaethyl 2,2',2''-(1,3,5-triazinane-2,4,6-triylidene)tripropanedioate

Catalog ID
STK672481
SMILES CCOC(=O)C(=c1[nH]c(=C(C(=O)OCC)C(=O)OCC)[nH]c(=C(C(=O)OCC)C(=O)OCC)[nH]1)C(=O)OCC

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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 C24H33N3O12 MW 555.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h25-27H,7-12H2,1-6H3
InChIKey
CXLPQHRVFUIUIX-UHFFFAOYSA-N
Synonyms
39945-18-1
(HEXAHYDRO135TRIAZINE246TRIYLIDENE)TRIS(MALONICACIDDIETHYL)ESTER
246(1H3H5H)STRIAZINEDELTA(SUP2ALPHA)DELTA(SUP4ALPHA)DELTA(SUP6ALPHA)TRIMALONICACIDHEXAETHYLESTER
246TRIS(DICARBETHOXYMETHYLENE)HEXAHYDRO135TRIAZINE
39945181
CCOC(=O)C(=c1(nH)c(=C(C(=O)OCC)C(=O)OCC)(nH)c(=C(C(=O)OCC)C(=O)OCC)(nH)1)C(=O)OCC
CCOC(=O)C(=C1NC(=C(C(=O)OCC)C(=O)OCC)NC(=C(C(=O)OCC)C(=O)OCC)N1)C(=O)OCC
DIETHYL2(46BIS(13DIETHOXY13DIOXOPROPAN2YLIDENE)135TRIAZINAN2YLIDENE)PROPANEDIOATE
DIETHYL2(46BIS(2ETHOXY1(ETHOXYCARBONYL)2OXOETHYLIDENE)135TRIAZINAN2YLIDENE)MALONATE
DIETHYL2(46BIS(BIS(ETHOXYCARBONYL)METHYLENE)135TRIAZAPERHYDROIN2YLIDENE)PROPANE13DIOATE
HEXAETHYL222(135TRIAZINANE246TRIYLIDENE)TRIPROPANEDIOATE
InChI=1SC24H33N3O12c173419(28)13(20(29)3582)162517(14(21(30)3693)22(31)37104)2718(2616)15(23(32)38115)24(33)39126h2527H712H216H3
MFCD00633127
ZINC000008397732
ZINC08397732
ZINC8397732

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Available files

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