Vitas-M small molecule compound
5-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK514688
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCc2ccc(c(c2)OC)OC)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)F
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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 C32H32FN5O4S2 MW 633.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32FN5O4S2/c1-20-24(18-28-31(40)38(32(43)44-28)12-11-21-5-10-26(41-3)27(17-21)42-4)29(35(2)30(39)25(20)19-34)37-15-13-36(14-16-37)23-8-6-22(33)7-9-23/h5-10,17-18H,11-16H2,1-4H3/b28-18-InChIKey
PBOITLKYKKMIJY-VEILYXNESA-NSynonyms
5((Z)(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6(4(4FLUOROPHENYL)PIPERAZIN1YL)14DIMETHYL2OXOPYRIDINE3CARBONITRILE
5((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6(4(4fluorophenyl)piperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N
InChI=1SC32H32FN5O4S2c12024(182831(40)38(32(43)4428)12112151026(413)27(1721)424)29(35(2)30(39)25(20)1934)37151336(141637)238622(33)7923h5101718H1116H214H3b2818
MFCD06644948
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCc2ccc(c(c2)OC)OC)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)F
ZINC000097946770
ZINC97946770
Check stock
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Check stock on Vitas-MAvailable files
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