Vitas-M small molecule compound
(5Z)-5-(2-{3-[4-(butan-2-yl)phenoxy]propoxy}-5-chlorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK081731
SMILES CCN1C(=S)S/C(=C\c2cc(Cl)ccc2OCCCOc2ccc(cc2)C(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 C25H28ClNO3S2 MW 490.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClNO3S2/c1-4-17(3)18-7-10-21(11-8-18)29-13-6-14-30-22-12-9-20(26)15-19(22)16-23-24(28)27(5-2)25(31)32-23/h7-12,15-17H,4-6,13-14H2,1-3H3/b23-16-InChIKey
NIBNDRCGYBCROS-KQWNVCNZSA-NSynonyms
(5Z)5((2(3(4BUTAN2YLPHENOXY)PROPOXY)5CHLOROPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(3(4(BUTAN2YL)PHENOXY)PROPOXY)5CHLOROBENZYLIDENE)3ETHYL2THIOXO13THIAZOLIDIN4ONE
CCC(C)C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)CC
CCN1C(=S)SC(=Cc2cc(Cl)ccc2OCCCOc2ccc(cc2)C(CC)C)C1=O
InChI=1SC25H28ClNO3S2c1417(3)1871021(11818)2913614302212920(26)1519(22)162324(28)27(52)25(31)3223h7121517H461314H213H3b2316
MFCD05976794
STK081731
ZINC000009678615
ZINC000009678618
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