Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811158
SMILES C=CCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)C)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 C20H22N4O2S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S2/c1-5-9-21-17-14(18(25)23-11-12(3)7-8-16(23)22-17)10-15-19(26)24(13(4)6-2)20(27)28-15/h5,7-8,10-11,13,21H,1,6,9H2,2-4H3/b15-10-InChIKey
OEEGPNSVXGLNLM-GDNBJRDFSA-NSynonyms
(5Z)3BUTAN2YL5((7METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
C=CCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C)C
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCC=C)SC1=S
InChI=1SC20H22N4O2S2c159211714(18(25)231112(3)7816(23)2217)101519(26)24(13(4)62)20(27)2815h57810111321H169H224H3b1510
MFCD03933126
ZINC000006168154
ZINC000006168411
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