Vitas-M small molecule compound
(5Z)-3-benzyl-5-{2-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK077656
SMILES COc1cccc(c1OCCCOc1ccc(c(c1)C)C)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C29H29NO4S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO4S2/c1-20-13-14-24(17-21(20)2)33-15-8-16-34-27-23(11-7-12-25(27)32-3)18-26-28(31)30(29(35)36-26)19-22-9-5-4-6-10-22/h4-7,9-14,17-18H,8,15-16,19H2,1-3H3/b26-18-InChIKey
AVSJVSCHVWLCLZ-ITYLOYPMSA-NSynonyms
(5Z)3BENZYL5((2(3(34DIMETHYLPHENOXY)PROPOXY)3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(2(3(34DIMETHYLPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C=C(C=C1)OCCCOC2=C(C=CC=C2OC)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C
COc1cccc(c1OCCCOc1ccc(c(c1)C)C)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H29NO4S2c120131424(1721(20)2)3315816342723(1171225(27)323)182628(31)30(29(35)3626)192295461022h479141718H8151619H213H3b2618
MFCD05976693
STK077656
ZINC000009659902
ZINC09659902
ZINC9659902
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