Vitas-M small molecule compound

[1,3,4a-trimethyl-4,4a,9,9a-tetrahydro-1H-9,2-(epoxymethano)xanthen-2(3H)-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate

Catalog ID
STK079867
SMILES CCn1nc(c(c1)Br)C(=O)OCC12COC3C(C2C)C(CC1C)(C)Oc1c3cccc1

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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 C24H29BrN2O4 MW 489.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29BrN2O4/c1-5-27-11-17(25)20(26-27)22(28)30-13-24-12-29-21-16-8-6-7-9-18(16)31-23(4,10-14(24)2)19(21)15(24)3/h6-9,11,14-15,19,21H,5,10,12-13H2,1-4H3
InChIKey
VBAFVMCTAYYKPV-UHFFFAOYSA-N
Synonyms

(134ATRIMETHYL44A99ATETRAHYDRO1H92(EPOXYMETHANO)XANTHEN2(3H)YL)METHYL4BROMO1ETHYL1HPYRAZOLE3CARBOXYLATE
CCN1C=C(C(=N1)C(=O)OCC23COC4C(C2C)C(CC3C)(OC5=CC=CC=C45)C)Br
CCn1nc(c(c1)Br)C(=O)OCC12COC3C(C2C)C(CC1C)(C)Oc1c3cccc1
InChI=1SC24H29BrN2O4c15271117(25)20(2627)22(28)30132412292116867918(16)3123(41014(24)2)19(21)15(24)3h691114151921H5101213H214H3
MFCD02766463
STK079867
ZINC000002139679
ZINC000239231163

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Available files

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