Vitas-M small molecule compound
(5E)-5-{4-[3-(4-tert-butylphenoxy)propoxy]-3-chloro-5-ethoxybenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK086552
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)C)cc(c1OCCCOc1ccc(cc1)C(C)(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 C26H30ClNO4S2 MW 520.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO4S2/c1-6-30-21-15-17(16-22-24(29)28(5)25(33)34-22)14-20(27)23(21)32-13-7-12-31-19-10-8-18(9-11-19)26(2,3)4/h8-11,14-16H,6-7,12-13H2,1-5H3/b22-16+InChIKey
NPLXSWVPMADMSK-CJLVFECKSA-NSynonyms
(5E)5((4(3(4tertbutylphenoxy)propoxy)3chloro5ethoxyphenyl)methylidene)3methyl2sulfanylidene13thiazolidin4one
(5E)5(4(3(4TERTBUTYLPHENOXY)PROPOXY)3CHLORO5ETHOXYBENZYLIDENE)3METHYL2THIOXO13THIAZOLIDIN4ONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C)Cl)OCCCOC3=CC=C(C=C3)C(C)(C)C
CCOc1cc(C=C2SC(=S)N(C2=O)C)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl
InChI=1SC26H30ClNO4S2c1630211517(162224(29)28(5)25(33)3422)1420(27)23(21)3213712311910818(91119)26(23)4h8111416H671213H215H3b2216+
MFCD08672790
STK086552
ZINC000013893999
ZINC13893999
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