Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239906
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)Cl)C)/C2=N)s1
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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 C26H27ClN6O2S MW 523.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN6O2S/c1-15-12-18(17(3)32(15)21-9-7-8-20(27)16(21)2)13-19-24(28)33-26(29-25(19)35)36-22(30-33)14-23(34)31-10-5-4-6-11-31/h7-9,12-13,28H,4-6,10-11,14H2,1-3H3/b19-13+,28-24-InChIKey
MKWPYOSQNZVBNE-CVYHYNTQSA-NSynonyms
843671-15-8(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
843671158
MFCD04163185
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1
ZINC000009280854
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