Vitas-M small molecule compound
[(5Z)-5-{[9-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK820441
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(Sc3ccccc3)nc3n(c2=O)cccc3C)/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 C21H15N3O4S3 MW 469.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4S3/c1-12-6-5-9-23-17(12)22-18(30-13-7-3-2-4-8-13)14(19(23)27)10-15-20(28)24(11-16(25)26)21(29)31-15/h2-10H,11H2,1H3,(H,25,26)/b15-10-InChIKey
LIPOALIJTABLKQ-GDNBJRDFSA-NSynonyms
((5Z)5((9methyl4oxo2(phenylsulfanyl)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((9METHYL4OXO2PHENYLSULFANYLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((9METHYL4OXO2PHENYLTHIO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)SC4=CC=CC=C4
InChI=1SC21H15N3O4S3c1126592317(12)2218(30137324813)14(19(23)27)101520(28)24(1116(25)26)21(29)3115h210H11H21H3(H2526)b1510
MFCD06644926
OC(=O)CN1C(=S)SC(=Cc2c(Sc3ccccc3)nc3n(c2=O)cccc3C)C1=O
ZINC000016741439
ZINC16741439
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