Vitas-M small molecule compound
3-(4-chlorophenyl)-5-(2-methyl-4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
Catalog ID
STK135259
SMILES Clc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1ccc(cc1C)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1
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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 C27H17ClN2O7 MW 516.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClN2O7/c1-13-12-16(30(35)36)10-11-19(13)29-25(33)20-21(26(29)34)27(37-22(20)14-6-8-15(28)9-7-14)23(31)17-4-2-3-5-18(17)24(27)32/h2-12,20-22H,1H3InChIKey
AWHFENNDWCBMRU-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)5(2methyl4nitrophenyl)spiro(3a6adihydro1Hfuro(34c)pyrrole32indene)1346tetrone
3(4chlorophenyl)5(2methyl4nitrophenyl)3a6adihydrospiro(furo(34c)pyrrole12indene)1346(3H5H)tetrone
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1ccc(cc1C)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1
InChI=1SC27H17ClN2O7c1131216(30(35)36)101119(13)2925(33)2021(26(29)34)27(3722(20)146815(28)9714)23(31)17423518(17)24(27)32h2122022H1H3
MFCD03488258
ZINC000100416884
ZINC000101484052
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