Vitas-M small molecule compound
butyl 4-{5-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL378894
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
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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 C27H22ClNO7S MW 539.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO7S/c1-2-3-10-33-26(31)17-6-4-16(5-7-17)21-9-8-19(36-21)12-24-25(30)29(27(32)37-24)14-18-11-22-23(13-20(18)28)35-15-34-22/h4-9,11-13H,2-3,10,14-15H2,1H3/b24-12+InChIKey
PUPOQCCCULVRGV-WYMPLXKRSA-NSynonyms
butyl4(5((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4=CC5=C(C=C4Cl)OCO5
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
InChI=1SC27H22ClNO7Sc123103326(31)176416(5717)219819(3621)122425(30)29(27(32)3724)1418112223(1320(18)28)35153422h491113H23101415H21H3b2412+
MFCD03614475
ZINC000100338445
ZINC100338445
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