Vitas-M small molecule compound
propan-2-yl [(5E)-5-({2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK106533
SMILES CC(OC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)C)/C1=O)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 C31H36N2O4S MW 532.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O4S/c1-18(2)37-28(34)17-32-29(35)27(38-30(32)36)13-24-9-19(3)33(20(24)4)26-7-5-25(6-8-26)31-14-21-10-22(15-31)12-23(11-21)16-31/h5-9,13,18,21-23H,10-12,14-17H2,1-4H3/b27-13+InChIKey
ADWSWMCJFSYKQI-UVHMKAGCSA-NSynonyms
CC(OC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)C)C1=O)C
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C6C(=O)N(C(=O)S6)CC(=O)OC(C)C
InChI=1SC31H36N2O4Sc118(2)3728(34)173229(35)27(3830(32)36)1324919(3)33(20(24)4)267525(6826)3114211022(1531)1223(1121)1631h5913182123H10121417H214H3b2713+
MFCD04126786
propan2yl((5E)5((25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)methylidene)24dioxo13thiazolidin3yl)acetate
PROPAN2YL2((5E)5((1(4(1ADAMANTYL)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
ZINC000009263047
ZINC09263047
ZINC9263047
Check stock
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Check stock on Vitas-MAvailable files
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