Vitas-M small molecule compound
2-(4-tert-butylphenoxy)-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK706855
SMILES CCCCCN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C1=O
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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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-5-6-8-16-30-25(32)21(35-26(30)34)17-20-23(28-22-10-7-9-15-29(22)24(20)31)33-19-13-11-18(12-14-19)27(2,3)4/h7,9-15,17H,5-6,8,16H2,1-4H3/b21-17-InChIKey
RFEJJFGNVUSRGE-FXBPSFAMSA-NSynonyms
799771-79-2(5Z)5((2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(4tertbutylphenoxy)3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
799771792
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)C(C)(C)C)SC1=S
CCCCCN1C(=S)SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C1=O
InChI=1SC27H29N3O3S2c1568163025(32)21(3526(30)34)172023(282210791529(22)24(20)31)3319131118(121419)27(23)4h791517H56816H214H3b2117
MFCD03671986
ZINC000002204936
ZINC2204936
Check stock
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Check stock on Vitas-MAvailable files
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