Vitas-M small molecule compound
2-{[4-(3-{(Z)-[3-(butan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]methyl}benzonitrile
Catalog ID
STK157385
SMILES CCC(N1C(=O)S/C(=C\c2cc(n(c2C)c2ccc(cc2)OCc2ccccc2C#N)C)/C1=O)C
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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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-5-18(2)31-27(32)26(35-28(31)33)15-23-14-19(3)30(20(23)4)24-10-12-25(13-11-24)34-17-22-9-7-6-8-21(22)16-29/h6-15,18H,5,17H2,1-4H3/b26-15-InChIKey
ZOUPDVLBBSWPDY-YSMPRRRNSA-NSynonyms
2((4(3((Z)(3(BUTAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
2((4(3((Z)(3butan2yl24dioxo13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)phenoxy)methyl)benzonitrile
CCC(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C)SC1=O
CCC(N1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)OCc2ccccc2C#N)C)C1=O)C
InChI=1SC28H27N3O3Sc1518(2)3127(32)26(3528(31)33)15231419(3)30(20(23)4)24101225(131124)341722976821(22)1629h61518H517H214H3b2615
MFCD03729411
ZINC000002099152
ZINC000002099156
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Check stock on Vitas-MAvailable files
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