Vitas-M small molecule compound
6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK882967
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCc2ccccc2)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)OC
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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 C31H31N5O3S2 MW 585.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O3S2/c1-21-25(19-27-30(38)36(31(40)41-27)14-13-22-7-5-4-6-8-22)28(33(2)29(37)26(21)20-32)35-17-15-34(16-18-35)23-9-11-24(39-3)12-10-23/h4-12,19H,13-18H2,1-3H3/b27-19-InChIKey
XBLGOJKOOXWTDS-DIBXZPPDSA-NSynonyms
6(4(4methoxyphenyl)piperazin1yl)14dimethyl2oxo5((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)pyridine3carbonitrile
6(4(4methoxyphenyl)piperazin1yl)14dimethyl2oxo5((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC)C)C#N
InChI=1SC31H31N5O3S2c12125(192730(38)36(31(40)4127)1413227546822)28(33(2)29(37)26(21)2032)35171534(161835)2391124(393)121023h41219H1318H213H3b2719
MFCD06646562
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCc2ccccc2)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)OC
ZINC000097946804
ZINC97946804
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