Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-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
STL153245
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
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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 C27H30N6O3S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O3S/c1-4-36-21-10-8-20(9-11-21)32-17(2)14-19(18(32)3)15-22-25(28)33-27(29-26(22)35)37-23(30-33)16-24(34)31-12-6-5-7-13-31/h8-11,14-15,28H,4-7,12-13,16H2,1-3H3/b22-15+,28-25-InChIKey
FBVXCUDTUFXNEH-RLRMVDLFSA-NSynonyms
861643-92-7(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861643927
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
MFCD05685999
ZINC000009309182
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