Vitas-M small molecule compound
(5Z)-3-benzyl-5-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-iodo-5-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK026893
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1ccc(cc1)C1CCCCC1)I
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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 C32H32INO4S2 MW 685.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32INO4S2/c1-36-28-19-23(20-29-31(35)34(32(39)40-29)21-22-8-4-2-5-9-22)18-27(33)30(28)38-17-16-37-26-14-12-25(13-15-26)24-10-6-3-7-11-24/h2,4-5,8-9,12-15,18-20,24H,3,6-7,10-11,16-17,21H2,1H3/b29-20-InChIKey
SYJMBGMNEKXOSC-BRPDVVIDSA-NSynonyms
(5Z)3BENZYL5((4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3IODO5METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)I)OCCOC4=CC=C(C=C4)C5CCCCC5
COc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1ccc(cc1)C1CCCCC1)I
InChI=1SC32H32INO4S2c136281923(202931(35)34(32(39)4029)21228425922)1827(33)30(28)3817163726141225(131526)24106371124h245891215182024H3671011161721H21H3b2920
MFCD02109357
STK026893
ZINC000150353618
ZINC150353618
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