Vitas-M small molecule compound
(3Z)-3-({5-[(4-methoxyphenoxy)methyl]furan-2-yl}methylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK686950
SMILES COc1ccc(cc1)OCc1ccc(o1)/C=C/1\CN(c2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C
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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 C28H23N3O9S MW 577.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O9S/c1-18-3-11-25(12-4-18)41(36,37)29-16-19(28-26(29)14-20(30(32)33)15-27(28)31(34)35)13-23-9-10-24(40-23)17-39-22-7-5-21(38-2)6-8-22/h3-15H,16-17H2,1-2H3/b19-13+InChIKey
YIYCRRPOLBTNDI-CPNJWEJPSA-NSynonyms
(3Z)3((5((4methoxyphenoxy)methyl)furan2yl)methylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
(3Z)3((5((4METHOXYPHENOXY)METHYL)FURAN2YL)METHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(O3)COC4=CC=C(C=C4)OC)C5=C(C=C(C=C52)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)OCc1ccc(o1)C=C1CN(c2c1c(cc(c2)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)c1ccc(cc1)C
InChI=1SC28H23N3O9Sc11831125(12418)41(3637)291619(2826(29)1420(30(32)33)1527(28)31(34)35)132391024(4023)1739227521(382)6822h315H1617H212H3b1913+
MFCD06616885
ZINC000100202958
ZINC100202958
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