Vitas-M small molecule compound
methyl (2-bromo-6-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK152491
SMILES C#CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)Br)OCC(=O)OC)/C1=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 C16H11BrClNO5S MW 444.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrClNO5S/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
ZPPYKFUVAJHJTN-KPKJPENVSA-NSynonyms
C#CCN1C(=O)SC(=Cc2cc(Cl)c(c(c2)Br)OCC(=O)OC)C1=O
COC(=O)COC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)S2)CC#C)Cl
InChI=1SC16H11BrClNO5Sc1341915(21)12(2516(19)22)79510(17)14(11(18)69)24813(20)232h157H48H22H3b127+
METHYL(2BROMO6CHLORO4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
methyl2(2bromo6chloro4((E)(24dioxo3prop2ynyl13thiazolidin5ylidene)methyl)phenoxy)acetate
MFCD03068480
ZINC000009259427
ZINC09259427
ZINC9259427
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