Vitas-M small molecule compound
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK532107
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/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 C15H13NO5S2 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO5S2/c17-13(18)2-1-5-16-14(19)12(23-15(16)22)7-9-3-4-10-11(6-9)21-8-20-10/h3-4,6-7H,1-2,5,8H2,(H,17,18)/b12-7-InChIKey
PNDTVNYIGWIIRZ-GHXNOFRVSA-NSynonyms
314751-79-6(Z)4(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)butanoicacid
314751796
4((5Z)5(13benzodioxol5ylmethylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
4((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O
InChI=1SC15H13NO5S2c1713(18)2151614(19)12(2315(16)22)79341011(69)2182010h3467H1258H2(H1718)b127
MFCD01948373
OC(=O)CCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000000966954
ZINC966954
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