Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798473
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCOCC2)/C1=O)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 C21H24N4O3S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S2/c1-4-14(3)25-20(27)16(30-21(25)29)12-15-18(23-8-10-28-11-9-23)22-17-13(2)6-5-7-24(17)19(15)26/h5-7,12,14H,4,8-11H2,1-3H3/b16-12-InChIKey
LKBNJQKYPJYOFZ-VBKFSLOCSA-NSynonyms
(5Z)3BUTAN2YL5((9METHYL2MORPHOLIN4YL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(morpholin4yl)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCOCC4)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCOCC2)C1=O)C
InChI=1SC21H24N4O3S2c1414(3)2520(27)16(3021(25)29)121518(238102811923)221713(2)65724(17)19(15)26h571214H4811H213H3b1612
MFCD03143148
ZINC000001146784
ZINC000001146789
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