Vitas-M small molecule compound
methyl (2,6-dichloro-4-{(Z)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK153072
SMILES COC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-]
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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 C20H14Cl2N2O7S MW 497.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O7S/c1-30-17(25)10-31-18-14(21)6-12(7-15(18)22)8-16-19(26)23(20(27)32-16)9-11-3-2-4-13(5-11)24(28)29/h2-8H,9-10H2,1H3/b16-8-InChIKey
PFIVPWZDNNOSNO-PXNMLYILSA-NSynonyms
COC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))Cl
COC(=O)COc1c(Cl)cc(cc1Cl)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H14Cl2N2O7Sc13017(25)10311814(21)612(715(18)22)81619(26)23(20(27)3216)91132413(511)24(28)29h28H910H21H3b168
METHYL(26DICHLORO4((Z)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(26DICHLORO4((Z)(3((3NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD04372701
ZINC000013880933
ZINC13880933
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