Vitas-M small molecule compound
2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK387191
SMILES O=C(c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-])COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C=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 C32H23ClN2O8 MW 599.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23ClN2O8/c33-23-5-3-7-25(35(40)41)29(23)43-17-10-8-16(9-11-17)26(36)15-42-32(39)20-4-1-2-6-24(20)34-30(37)27-18-12-13-19(22-14-21(18)22)28(27)31(34)38/h1-13,18-19,21-22,27-28H,14-15H2InChIKey
KTJXKDYIUVLTIE-UHFFFAOYSA-NSynonyms
2(4(2chloro6nitrophenoxy)phenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C(=O)OCC(=O)C6=CC=C(C=C6)OC7=C(C=CC=C7Cl)(N+)(=O)(O)
InChI=1SC32H23ClN2O8c332353725(35(40)41)29(23)431710816(91117)26(36)154232(39)20412624(20)3430(37)2718121319(221421(18)22)28(27)31(34)38h113181921222728H1415H2
MFCD02314707
O=C(c1ccc(cc1)Oc1c(Cl)cccc1(N+)(=O)(O))COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
ZINC000239128766
ZINC000239128769
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