Vitas-M small molecule compound
4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK800530
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCc1ccccc1
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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 C26H21NO3S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO3S2/c1-18-7-11-21(12-8-18)25(29)30-22-13-9-20(10-14-22)17-23-24(28)27(26(31)32-23)16-15-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3/b23-17-InChIKey
IRJHDBYNLPHVRI-QJOMJCCJSA-NSynonyms
(4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)4methylbenzoate
4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4
Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC26H21NO3S2c11871121(12818)25(29)302213920(101422)172324(28)27(26(31)3223)1615195324619h21417H1516H21H3b2317
MFCD06642893
ZINC000016735758
ZINC16735758
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