Vitas-M small molecule compound

4-[(5E)-2-oxo-5-{2-oxo-3-[4-oxo-4-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)butyl]-4-thioxo-1,3-thiazolidin-5-ylidene}-4-thioxo-1,3-thiazolidin-3-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanamide

Catalog ID
STL059263
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CCCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCCC(=O)NC23CC4CC(C3)CC(C2)C4)/C1=S

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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 C34H44N4O4S4 MW 701.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N4O4S4/c39-25(35-33-13-19-7-20(14-33)9-21(8-19)15-33)3-1-5-37-29(43)27(45-31(37)41)28-30(44)38(32(42)46-28)6-2-4-26(40)36-34-16-22-10-23(17-34)12-24(11-22)18-34/h19-24H,1-18H2,(H,35,39)(H,36,40)/b28-27+
InChIKey
KALKUCDTKXCZDG-BYYHNAKLSA-N
Synonyms

4((5E)2oxo5(2oxo3(4oxo4(tricyclo(3311~37~)dec1ylamino)butyl)4thioxo13thiazolidin5ylidene)4thioxo13thiazolidin3yl)N(tricyclo(3311~37~)dec1yl)butanamide
44((E)22dioxo44dithioxo2H2H(55bithiazolylidene)33(4H4H)diyl)bis(N((1s3s)adamantan1yl)butanamide)
C1C2CC3CC1CC(C2)(C3)NC(=O)CCCN4C(=S)C(=C5C(=S)N(C(=O)S5)CCCC(=O)NC67CC8CC(C6)CC(C8)C7)SC4=O
InChI=1SC34H44N4O4S4c3925(35331319720(1433)921(819)1533)3153729(43)27(4531(37)41)2830(44)38(32(42)4628)62426(40)363416221023(1734)1224(1122)1834h1924H118H2(H3539)(H3640)b2827+
N(1ADAMANTYL)4((5E)5(3(4(1ADAMANTYLAMINO)4OXOBUTYL)2OXO4SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXO4SULFANYLIDENE13THIAZOLIDIN3YL)BUTANAMIDE
O=C(NC12CC3CC(C2)CC(C1)C3)CCCN1C(=O)SC(=C2SC(=O)N(C2=S)CCCC(=O)NC23CC4CC(C3)CC(C2)C4)C1=S
ZINC000097970774
ZINC97970774

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Available files

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