Vitas-M small molecule compound

3-methylbutyl 6-[(5E)-5-{3-[6-(3-methylbutoxy)-6-oxohexyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate

Catalog ID
STK525155
SMILES CC(CCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCC(C)C)/C1=O)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 C28H42N2O6S4 MW 630.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O6S4/c1-19(2)13-17-35-21(31)11-7-5-9-15-29-25(33)23(39-27(29)37)24-26(34)30(28(38)40-24)16-10-6-8-12-22(32)36-18-14-20(3)4/h19-20H,5-18H2,1-4H3/b24-23+
InChIKey
BMOGYEJKSDBILC-WCWDXBQESA-N
Synonyms

(E)diisopentyl66(44dioxo22dithioxo2H2H(55bithiazolylidene)33(4H4H)diyl)dihexanoate
3METHYLBUTYL6((5E)5(3(6(3METHYLBUTOXY)6OXOHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOATE
3methylbutyl6((5E)5(3(6(3methylbutoxy)6oxohexyl)4oxo2thioxo13thiazolidin5ylidene)4oxo2thioxo13thiazolidin3yl)hexanoate
CC(C)CCOC(=O)CCCCCN1C(=O)C(=C2C(=O)N(C(=S)S2)CCCCCC(=O)OCCC(C)C)SC1=S
CC(CCOC(=O)CCCCCN1C(=S)SC(=C2SC(=S)N(C2=O)CCCCCC(=O)OCCC(C)C)C1=O)C
InChI=1SC28H42N2O6S4c119(2)13173521(31)11759152925(33)23(3927(29)37)2426(34)30(28(38)4024)1610681222(32)36181420(3)4h1920H518H214H3b2423+
MFCD00307123
ZINC000097966319
ZINC97966319

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.