Vitas-M small molecule compound
4-bromo-N-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-1-methyl-1H-pyrazole-3-carboxamide
Catalog ID
STK841959
SMILES O=C1N(NC(=O)c2nn(cc2Br)C)C(=O)C2C1C1C=CC2C2C1C2
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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 C16H15BrN4O3 MW 391.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4O3/c1-20-5-10(17)13(18-20)14(22)19-21-15(23)11-6-2-3-7(9-4-8(6)9)12(11)16(21)24/h2-3,5-9,11-12H,4H2,1H3,(H,19,22)InChIKey
LMHHPCYJUBLDJT-UHFFFAOYSA-NSynonyms
1212293-12-31212293123
4BROMON((3AR4R4AS5AR6S6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)1METHYL1HPYRAZOLE3CARBOXAMIDE
4bromoN((3aR4S4aS5aR6R6aS)13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)1methyl1Hpyrazole3carboxamide
4bromoN(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)1methyl1Hpyrazole3carboxamide
CN1C=C(C(=N1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br
InChI=1SC16H15BrN4O3c120510(17)13(1820)14(22)192115(23)116237(948(6)9)12(11)16(21)24h23591112H4H21H3(H1922)
MFCD03286242
ZINC000195427679
ZINC000239338959
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