Vitas-M small molecule compound
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705772
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1cccc(c1)Cl)/C=C/1\SC(=S)N(C1=O)C(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 C26H26ClN5O2S2 MW 540.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN5O2S2/c1-16(2)32-25(34)21(36-26(32)35)14-20-23(28-22-8-7-17(3)15-31(22)24(20)33)30-11-9-29(10-12-30)19-6-4-5-18(27)13-19/h4-8,13-16H,9-12H2,1-3H3/b21-14-InChIKey
SHJSEFSCVZXZRF-STZFKDTASA-NSynonyms
(5Z)5((2(4(3chlorophenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3propan2yl2sulfanylidene13thiazolidin4one
2(4(3chlorophenyl)piperazin1yl)7methyl3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C)N4CCN(CC4)C5=CC(=CC=C5)Cl)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1cccc(c1)Cl)C=C1SC(=S)N(C1=O)C(C)C
InChI=1SC26H26ClN5O2S2c116(2)3225(34)21(3626(32)35)142023(28228717(3)1531(22)24(20)33)3011929(101230)1964518(27)1319h481316H912H213H3b2114
MFCD04446832
ZINC000100762288
ZINC100762288
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