Vitas-M small molecule compound
(5Z)-5-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-iodo-5-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK084113
SMILES C=CCN1C(=S)S/C(=C\c2cc(I)c(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 C28H30INO4S2 MW 635.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30INO4S2/c1-3-13-30-27(31)25(36-28(30)35)18-19-16-23(29)26(24(17-19)32-2)34-15-14-33-22-11-9-21(10-12-22)20-7-5-4-6-8-20/h3,9-12,16-18,20H,1,4-8,13-15H2,2H3/b25-18-InChIKey
BYRCCGRLTKRVFV-BWAHOGKJSA-NSynonyms
(5Z)5((4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3IODO5METHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(I)c(c(c2)OC)OCCOc2ccc(cc2)C2CCCCC2)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)I)OCCOC3=CC=C(C=C3)C4CCCCC4
InChI=1SC28H30INO4S2c13133027(31)25(3628(30)35)18191623(29)26(24(1719)322)341514332211921(101222)207546820h3912161820H1481315H22H3b2518
MFCD02109350
STK084113
ZINC000150348629
ZINC150348629
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