Vitas-M small molecule compound
(5Z)-5-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK020951
SMILES C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OCCOc2ccc(cc2)C2CCCCC2)/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 C28H31NO4S2 MW 509.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4S2/c1-3-15-29-27(30)26(35-28(29)34)19-20-9-14-24(25(18-20)31-2)33-17-16-32-23-12-10-22(11-13-23)21-7-5-4-6-8-21/h3,9-14,18-19,21H,1,4-8,15-17H2,2H3/b26-19-InChIKey
FJNIBPICQYPJSJ-XHPQRKPJSA-NSynonyms
(5Z)5((4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3METHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3METHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OCCOc2ccc(cc2)C2CCCCC2)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OCCOC3=CC=C(C=C3)C4CCCCC4
InChI=1SC28H31NO4S2c13152927(30)26(3528(29)34)192091424(25(1820)312)3317163223121022(111323)217546821h3914181921H1481517H22H3b2619
MFCD02109252
STK020951
ZINC000008872425
ZINC08872425
ZINC8872425
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