Vitas-M small molecule compound
methyl (4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK079688
SMILES COC(=O)COc1ccc(cc1)/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 C16H13NO5S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5S/c1-3-8-17-15(19)13(23-16(17)20)9-11-4-6-12(7-5-11)22-10-14(18)21-2/h1,4-7,9H,8,10H2,2H3/b13-9+InChIKey
AVUGMHLTUXDFQV-UKTHLTGXSA-NSynonyms
COC(=O)COC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC#C
COC(=O)COc1ccc(cc1)C=C1SC(=O)N(C1=O)CC#C
InChI=1SC16H13NO5Sc1381715(19)13(2316(17)20)9114612(7511)221014(18)212h1479H810H22H3b139+
METHYL(4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(4((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03728238
STK079688
ZINC000004670567
ZINC04670567
ZINC4670567
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