Vitas-M small molecule compound
methyl [1-(7-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
Catalog ID
STK596775
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)/C1=O
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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 C23H23N5O5S2 MW 513.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S2/c1-4-8-27-22(32)16(35-23(27)34)10-14-19(25-17-6-5-13(2)12-28(17)21(14)31)26-9-7-24-20(30)15(26)11-18(29)33-3/h4-6,10,12,15H,1,7-9,11H2,2-3H3,(H,24,30)/b16-10-InChIKey
WUUODRCZUWKDQU-YBEGLDIGSA-NSynonyms
(Z)methyl2(1(3((3allyl4oxo2thioxothiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCNC(=O)C4CC(=O)OC)C=C1
InChI=1SC23H23N5O5S2c1482722(32)16(3523(27)34)101419(25176513(2)1228(17)21(14)31)26972420(30)15(26)1118(29)333h46101215H17911H223H3(H2430)b1610
methyl(1(7methyl4oxo3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(7METHYL4OXO3((4OXO3PROP2ENYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(7METHYL4OXO3((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03664966
ZINC000002370671
ZINC000008896478
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