Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK706378
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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 C24H23NO5S2 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO5S2/c1-15-5-8-17(9-6-15)23(27)30-19-10-7-16(12-20(19)28-2)13-21-22(26)25(24(31)32-21)14-18-4-3-11-29-18/h5-10,12-13,18H,3-4,11,14H2,1-2H3/b21-13-InChIKey
WBAPYCLBGWDQQP-BKUYFWCQSA-NSynonyms
(2METHOXY4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZOATE
(E)2methoxy4((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl4methylbenzoate
2methoxy4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4CCCO4)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)CC1CCCO1
InChI=1SC24H23NO5S2c1155817(9615)23(27)301910716(1220(19)282)132122(26)25(24(31)3221)141843112918h510121318H341114H212H3b2113
MFCD02230535
ZINC000013424004
ZINC000013424005
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