Vitas-M small molecule compound
(5Z)-3-benzyl-5-(5-chloro-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK056388
SMILES Clc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)OCCOc1cc(C)ccc1C(C)C
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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 C29H28ClNO3S2 MW 538.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClNO3S2/c1-19(2)24-11-9-20(3)15-26(24)34-14-13-33-25-12-10-23(30)16-22(25)17-27-28(32)31(29(35)36-27)18-21-7-5-4-6-8-21/h4-12,15-17,19H,13-14,18H2,1-3H3/b27-17-InChIKey
DSAXIWNXAVYUQD-PKAZHMFMSA-NSynonyms
(5Z)3BENZYL5((5CHLORO2(2(5METHYL2PROPAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(5CHLORO2(2(5METHYL2(PROPAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
Clc1ccc(c(c1)C=C1SC(=S)N(C1=O)Cc1ccccc1)OCCOc1cc(C)ccc1C(C)C
InChI=1SC29H28ClNO3S2c119(2)2411920(3)1526(24)3414133325121023(30)1622(25)172728(32)31(29(35)3627)18217546821h412151719H131418H213H3b2717
MFCD02109291
STK056388
ZINC000100080864
ZINC100080864
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