Vitas-M small molecule compound
4-[(5Z)-5-{[7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK704476
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-18-9-10-22-28-24(30-14-12-29(13-15-30)19-6-3-2-4-7-19)20(25(35)32(22)17-18)16-21-26(36)31(27(37)38-21)11-5-8-23(33)34/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3,(H,33,34)/b21-16-InChIKey
AJPHMVLLRMMZHL-PGMHBOJBSA-NSynonyms
4((5Z)5((7methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((7METHYL4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)N4CCN(CC4)C5=CC=CC=C5)C=C1
InChI=1SC27H27N5O4S2c118910222824(30141229(131530)196324719)20(25(35)32(22)1718)162126(36)31(27(37)3821)115823(33)34h24679101617H581115H21H3(H3334)b2116
MFCD04542237
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)C1=O
ZINC000097946610
ZINC97946610
Check stock
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Check stock on Vitas-MAvailable files
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