Vitas-M small molecule compound
methyl (2,6-dichloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK152494
SMILES COC(=O)COc1c(Cl)cc(cc1Cl)/C=C\1/SC(=O)N(C1=O)CC#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 C16H11Cl2NO5S MW 400.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2NO5S/c1-3-4-19-15(21)12(25-16(19)22)7-9-5-10(17)14(11(18)6-9)24-8-13(20)23-2/h1,5-7H,4,8H2,2H3/b12-7+InChIKey
GBXLLFGEBJWIPK-KPKJPENVSA-NSynonyms
COC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC#C)Cl
COC(=O)COc1c(Cl)cc(cc1Cl)C=C1SC(=O)N(C1=O)CC#C
InChI=1SC16H11Cl2NO5Sc1341915(21)12(2516(19)22)79510(17)14(11(18)69)24813(20)232h157H48H22H3b127+
METHYL(26DICHLORO4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(26DICHLORO4((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03706466
ZINC000001140310
ZINC01140310
ZINC1140310
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