Vitas-M small molecule compound
(5Z)-5-{2-[3-(4-tert-butylphenoxy)propoxy]-3-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK058903
SMILES C=CCN1C(=S)S/C(=C\c2cccc(c2OCCCOc2ccc(cc2)C(C)(C)C)OC)/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 C27H31NO4S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4S2/c1-6-15-28-25(29)23(34-26(28)33)18-19-9-7-10-22(30-5)24(19)32-17-8-16-31-21-13-11-20(12-14-21)27(2,3)4/h6-7,9-14,18H,1,8,15-17H2,2-5H3/b23-18-InChIKey
DJXJSEQBJPENCV-NKFKGCMQSA-NSynonyms
(5Z)5((2(3(4TERTBUTYLPHENOXY)PROPOXY)3METHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(3(4TERTBUTYLPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cccc(c2OCCCOc2ccc(cc2)C(C)(C)C)OC)C1=O
CC(C)(C)C1=CC=C(C=C1)OCCCOC2=C(C=CC=C2OC)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC27H31NO4S2c16152825(29)23(3426(28)33)1819971022(305)24(19)32178163121131120(121421)27(23)4h6791418H181517H225H3b2318
MFCD05976453
STK058903
ZINC000009553365
ZINC09553365
ZINC9553365
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