Vitas-M small molecule compound

3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK903747
SMILES CC(OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl)C)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 C26H27ClN4O3S2 MW 543.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O3S2/c1-16(2)34-12-6-11-28-23-19(24(32)30-14-17(3)9-10-22(30)29-23)13-21-25(33)31(26(35)36-21)15-18-7-4-5-8-20(18)27/h4-5,7-10,13-14,16,28H,6,11-12,15H2,1-3H3/b21-13-
InChIKey
JMNVBFNTPNGBQV-BKUYFWCQSA-N
Synonyms
840459-61-2
(5Z)3((2CHLOROPHENYL)METHYL)5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2chlorobenzyl)5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2chlorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
840459612
CC(OCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1Cl)C)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)NCCCOC(C)C)C=C1
InChI=1SC26H27ClN4O3S2c116(2)3412611282319(24(32)301417(3)91022(30)2923)132125(33)31(26(35)3621)1518745820(18)27h4571013141628H6111215H213H3b2113
MFCD03694885
ZINC000101022969
ZINC101022969

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Available files

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