Vitas-M small molecule compound
(5Z)-5-(3-methoxy-2-{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
STK001697
SMILES C=CCN1C(=S)S/C(=C\c2cccc(c2OCCCOc2cc(C)ccc2C(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/c1-6-13-28-26(29)24(34-27(28)33)17-20-9-7-10-22(30-5)25(20)32-15-8-14-31-23-16-19(4)11-12-21(23)18(2)3/h6-7,9-12,16-18H,1,8,13-15H2,2-5H3/b24-17-InChIKey
HPTVAIQEHMIGDL-ULJHMMPZSA-NSynonyms
(5Z)5((3METHOXY2(3(5METHYL2PROPAN2YLPHENOXY)PROPOXY)PHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3METHOXY2(3(5METHYL2(PROPAN2YL)PHENOXY)PROPOXY)BENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cccc(c2OCCCOc2cc(C)ccc2C(C)C)OC)C1=O
CC1=CC(=C(C=C1)C(C)C)OCCCOC2=C(C=CC=C2OC)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC27H31NO4S2c16132826(29)24(3427(28)33)1720971022(305)25(20)321581431231619(4)111221(23)18(2)3h679121618H181315H225H3b2417
MFCD05976451
STK001697
ZINC000008916052
ZINC08916052
ZINC8916052
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