Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK797580
SMILES COc1ccc(cc1)c1cc(OC(=O)CCN2C(=S)S/C(=C\c3ccccc3)/C2=O)cc2c1oc(=O)s2
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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 C27H19NO6S3 MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19NO6S3/c1-32-18-9-7-17(8-10-18)20-14-19(15-21-24(20)34-27(31)37-21)33-23(29)11-12-28-25(30)22(36-26(28)35)13-16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3/b22-13-InChIKey
JSQVSHHSJTWVAD-XKZIYDEJSA-NSynonyms
(7(4METHOXYPHENYL)2OXO13BENZOXATHIOL5YL)3((5Z)5BENZYLIDENE4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
7(4methoxyphenyl)2oxo13benzoxathiol5yl3((5Z)5benzylidene4oxo2thioxo13thiazolidin3yl)propanoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)CCN4C(=O)C(=CC5=CC=CC=C5)SC4=S
COc1ccc(cc1)c1cc(OC(=O)CCN2C(=S)SC(=Cc3ccccc3)C2=O)cc2c1oc(=O)s2
InChI=1SC27H19NO6S3c132189717(81018)201419(152124(20)3427(31)3721)3323(29)11122825(30)22(3626(28)35)13165324616h2101315H1112H21H3b2213
MFCD03226112
ZINC000002699494
ZINC2699494
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