Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK822471
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C27H23NO4S2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO4S2/c1-17-9-12-21(13-10-17)26(30)32-22-14-11-19(15-23(22)31-3)16-24-25(29)28(27(33)34-24)18(2)20-7-5-4-6-8-20/h4-16,18H,1-3H3/b24-16-InChIKey
LSGMKAKMVUYTFW-JLPGSUDCSA-NSynonyms
(2METHOXY4((Z)(4OXO3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZOATE
(E)2methoxy4((4oxo3(1phenylethyl)2thioxothiazolidin5ylidene)methyl)phenyl4methylbenzoate
2methoxy4((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)C(c1ccccc1)C
InChI=1SC27H23NO4S2c11791221(131017)26(30)3222141119(1523(22)313)162425(29)28(27(33)3424)18(2)207546820h41618H13H3b2416
MFCD02636880
ZINC000018061350
ZINC000022215649
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