Vitas-M small molecule compound
2-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Catalog ID
STK622797
SMILES OC(=O)CCC(N1C(=S)S/C(=C/C2=Cc3c(OC2)cccc3)/C1=O)C(=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 C18H15NO6S2 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO6S2/c20-15(21)6-5-12(17(23)24)19-16(22)14(27-18(19)26)8-10-7-11-3-1-2-4-13(11)25-9-10/h1-4,7-8,12H,5-6,9H2,(H,20,21)(H,23,24)/b14-8+InChIKey
VVPFYNWJGVZJCM-RIYZIHGNSA-NSynonyms
(E)2(5((2Hchromen3yl)methylene)4oxo2thioxothiazolidin3yl)pentanedioicacid
2((5E)5(2Hchromen3ylmethylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)5(2Hchromen3ylmethylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
C1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O
InChI=1SC18H15NO6S2c2015(21)6512(17(23)24)1916(22)14(2718(19)26)810711312413(11)25910h147812H569H2(H2021)(H2324)b148+
MFCD09790755
OC(=O)CCC(N1C(=S)SC(=CC2=Cc3c(OC2)cccc3)C1=O)C(=O)O
ZINC000009051211
ZINC000009051214
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