Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK823667
SMILES CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-3-29-8-10-30(11-9-29)24-19(25(33)31-14-17(2)4-7-23(31)28-24)13-22-26(34)32(27(37)38-22)15-18-5-6-20-21(12-18)36-16-35-20/h4-7,12-14H,3,8-11,15-16H2,1-2H3/b22-13-InChIKey
LLZPZJZYHGPZNU-XKZIYDEJSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(4ETHYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4ethylpiperazin1yl)7methyl4Hpyrido(12a)pyrimidin4one
CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
InChI=1SC27H27N5O4S2c132981030(11929)2419(25(33)311417(2)4723(31)2824)132226(34)32(27(37)3822)1518562021(1218)36163520h471214H38111516H212H3b2213
MFCD03464168
ZINC000100763832
ZINC100763832
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