Vitas-M small molecule compound
(5Z)-5-[(1-{2-[2-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK039018
SMILES C=CCN1C(=S)S/C(=C\c2cn(c3c2cccc3)CCOc2ccccc2C(CC)C)/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 C27H28N2O2S2 MW 476.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S2/c1-4-14-29-26(30)25(33-27(29)32)17-20-18-28(23-12-8-6-11-22(20)23)15-16-31-24-13-9-7-10-21(24)19(3)5-2/h4,6-13,17-19H,1,5,14-16H2,2-3H3/b25-17-InChIKey
ISJRUFMGJDCQEK-UQQQWYQISA-NSynonyms
(5Z)5((1(2(2(BUTAN2YL)PHENOXY)ETHYL)1HINDOL3YL)METHYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
(5Z)5((1(2(2BUTAN2YLPHENOXY)ETHYL)INDOL3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cn(c3c2cccc3)CCOc2ccccc2C(CC)C)C1=O
CCC(C)C1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)N(C(=S)S4)CC=C
InChI=1SC27H28N2O2S2c14142926(30)25(3327(29)32)17201828(2312861122(20)23)1516312413971021(24)19(3)52h46131719H151416H223H3b2517
MFCD03183502
STK039018
ZINC000013942277
ZINC000013942279
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