Vitas-M small molecule compound
(5E)-5-(3-chloro-5-ethoxy-4-{3-[5-methyl-2-(propan-2-yl)phenoxy]propoxy}benzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK031850
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCCOc2cc(C)ccc2C(C)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 C28H32ClNO4S2 MW 546.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClNO4S2/c1-6-11-30-27(31)25(36-28(30)35)17-20-15-22(29)26(24(16-20)32-7-2)34-13-8-12-33-23-14-19(5)9-10-21(23)18(3)4/h6,9-10,14-18H,1,7-8,11-13H2,2-5H3/b25-17+InChIKey
VAPPPFHXMNAVAL-KOEQRZSOSA-NSynonyms
(5E)5((3chloro5ethoxy4(3(5methyl2propan2ylphenoxy)propoxy)phenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO5ETHOXY4(3(5METHYL2(PROPAN2YL)PHENOXY)PROPOXY)BENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OCCCOc2cc(C)ccc2C(C)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OCCCOC3=C(C=CC(=C3)C)C(C)C
InChI=1SC28H32ClNO4S2c16113027(31)25(3628(30)35)17201522(29)26(24(1620)3272)341381233231419(5)91021(23)18(3)4h69101418H1781113H225H3b2517+
MFCD08050323
STK031850
ZINC000097958174
ZINC97958174
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