Vitas-M small molecule compound
(5E)-3-benzyl-5-{3-chloro-4-[3-(4-ethylphenoxy)propoxy]-5-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK057190
SMILES CCc1ccc(cc1)OCCCOc1c(Cl)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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/c1-3-20-10-12-23(13-11-20)34-14-7-15-35-27-24(30)16-22(17-25(27)33-2)18-26-28(32)31(29(36)37-26)19-21-8-5-4-6-9-21/h4-6,8-13,16-18H,3,7,14-15,19H2,1-2H3/b26-18+InChIKey
VSHCAJDBWYSLNH-NLRVBDNBSA-NSynonyms
(5E)3benzyl5((3chloro4(3(4ethylphenoxy)propoxy)5methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3BENZYL5(3CHLORO4(3(4ETHYLPHENOXY)PROPOXY)5METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCC1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC
CCc1ccc(cc1)OCCCOc1c(Cl)cc(cc1OC)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H28ClNO4S2c1320101223(131120)3414715352724(30)1622(1725(27)332)182628(32)31(29(36)3726)19218546921h468131618H37141519H212H3b2618+
MFCD08051379
STK057190
ZINC000097958752
ZINC97958752
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