Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712752
SMILES Cc1cccc(c1)c1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)C)C)/C(=N)n2n1
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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 C26H22ClN5OS MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS/c1-14-6-5-7-18(10-14)25-30-32-23(28)21(24(33)29-26(32)34-25)12-19-11-16(3)31(17(19)4)20-9-8-15(2)22(27)13-20/h5-13,28H,1-4H3/b21-12+,28-23-InChIKey
XHGGTIUTEVXCMQ-HXMRIDLRSA-NSynonyms
1392297-90-3(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(mtolyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1392297903
Cc1cccc(c1)c1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)C)C)C(=N)n2n1
MFCD05681387
ZINC000009274057
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