Vitas-M small molecule compound
pentyl 6-[(5E)-4-oxo-5-{4-oxo-3-[6-oxo-6-(pentyloxy)hexyl]-2-thioxo-1,3-thiazolidin-5-ylidene}-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Catalog ID
STK525740
SMILES CCCCCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCCCC)/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 C28H42N2O6S4 MW 630.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O6S4/c1-3-5-13-19-35-21(31)15-9-7-11-17-29-25(33)23(39-27(29)37)24-26(34)30(28(38)40-24)18-12-8-10-16-22(32)36-20-14-6-4-2/h3-20H2,1-2H3/b24-23+InChIKey
XMPPONQVLKXFGX-WCWDXBQESA-NSynonyms
(E)dipentyl66(44dioxo22dithioxo2H2H(55bithiazolylidene)33(4H4H)diyl)dihexanoate
CCCCCOC(=O)CCCCCN1C(=O)C(=C2C(=O)N(C(=S)S2)CCCCCC(=O)OCCCCC)SC1=S
CCCCCOC(=O)CCCCCN1C(=S)SC(=C2SC(=S)N(C2=O)CCCCCC(=O)OCCCCC)C1=O
InChI=1SC28H42N2O6S4c13513193521(31)159711172925(33)23(3927(29)37)2426(34)30(28(38)4024)18128101622(32)362014642h320H212H3b2423+
MFCD01912267
pentyl6((5E)4oxo5(4oxo3(6oxo6(pentyloxy)hexyl)2thioxo13thiazolidin5ylidene)2thioxo13thiazolidin3yl)hexanoate
PENTYL6((5E)4OXO5(4OXO3(6OXO6PENTOXYHEXYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOATE
ZINC000097966324
ZINC97966324
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