Vitas-M small molecule compound
2-methoxy-4-{(E)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STL427696
SMILES COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)/C=C\1/SC(=S)N(C1=O)c1ccc(cc1)OC
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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 C29H29NO5S2 MW 535.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5S2/c1-33-22-6-4-21(5-7-22)30-26(31)25(37-28(30)36)13-17-3-8-23(24(12-17)34-2)35-27(32)29-14-18-9-19(15-29)11-20(10-18)16-29/h3-8,12-13,18-20H,9-11,14-16H2,1-2H3/b25-13+InChIKey
RFDALPUPDXEILQ-DHRITJCHSA-NSynonyms
(2METHOXY4((E)(3(4METHOXYPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)ADAMANTANE1CARBOXYLATE
2METHOXY4((3(4METHOXYPHENYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYLADAMANTANECARBOXYLATE
2methoxy4((E)(3(4methoxyphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyltricyclo(3311~37~)decane1carboxylate
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)SC2=S
COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)C=C1SC(=S)N(C1=O)c1ccc(cc1)OC
InChI=1SC29H29NO5S2c133226421(5722)3026(31)25(3728(30)36)13173823(24(1217)342)3527(32)291418919(1529)1120(1018)1629h3812131820H9111416H212H3b2513+
ZINC000100345793
ZINC100345793
Check stock
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Check stock on Vitas-MAvailable files
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