Vitas-M small molecule compound
(5Z)-5-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK058947
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)c2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl
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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 C29H28ClNO4S2 MW 554.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClNO4S2/c1-18(2)22-11-10-19(3)14-24(22)34-12-13-35-27-23(30)15-20(16-25(27)33-4)17-26-28(32)31(29(36)37-26)21-8-6-5-7-9-21/h5-11,14-18H,12-13H2,1-4H3/b26-17-InChIKey
IOJQLYKNFSHVQN-ONUIUJJFSA-NSynonyms
(5Z)5((3CHLORO5METHOXY4(2(5METHYL2PROPAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)3PHENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3CHLORO5METHOXY4(2(5METHYL2(PROPAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)3PHENYL2THIOXO13THIAZOLIDIN4ONE
CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)OC
COc1cc(C=C2SC(=S)N(C2=O)c2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl
InChI=1SC29H28ClNO4S2c118(2)22111019(3)1424(22)341213352723(30)1520(1625(27)334)172628(32)31(29(36)3726)218657921h5111418H1213H214H3b2617
MFCD02109308
STK058947
ZINC000100269827
ZINC100269827
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