Vitas-M small molecule compound
3-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK880953
SMILES S=C1S/C(=C/c2c(nc3n(c2=O)cccc3C)N2CCC3(CC2)OCCO3)/C(=O)N1Cc1ccccc1
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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 C27H26N4O4S2 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S2/c1-18-6-5-11-30-22(18)28-23(29-12-9-27(10-13-29)34-14-15-35-27)20(24(30)32)16-21-25(33)31(26(36)37-21)17-19-7-3-2-4-8-19/h2-8,11,16H,9-10,12-15,17H2,1H3/b21-16+InChIKey
VNBWXWXZWPOWQY-LTGZKZEYSA-NSynonyms
(5E)3benzyl5((2(14dioxa8azaspiro(45)decan8yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(14dioxa8azaspiro(45)dec8yl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCC6(CC5)OCCO6
InChI=1SC27H26N4O4S2c11865113022(18)2823(2912927(101329)3414153527)20(24(30)32)162125(33)31(26(36)3721)17197324819h281116H910121517H21H3b2116+
MFCD18075876
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC3(CC2)OCCO3)C(=O)N1Cc1ccccc1
ZINC000097947226
ZINC97947226
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