Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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
STL240125
SMILES COc1ccc(cc1Cl)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 C26H27ClN6O3S MW 539.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN6O3S/c1-15-11-17(16(2)32(15)18-7-8-21(36-3)20(27)13-18)12-19-24(28)33-26(29-25(19)35)37-22(30-33)14-23(34)31-9-5-4-6-10-31/h7-8,11-13,28H,4-6,9-10,14H2,1-3H3/b19-12+,28-24-InChIKey
VXQZRPQQMDDNNP-AAVCFNCQSA-NSynonyms
848756-33-2(6E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848756332
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
MFCD04197000
ZINC000101173421
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