Vitas-M small molecule compound
(6Z)-6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224840
SMILES COc1cc(OC)ccc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
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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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c1-15-12-18(16(2)30(15)21-11-10-19(33-3)14-22(21)34-4)13-20-23(27)31-26(28-24(20)32)35-25(29-31)17-8-6-5-7-9-17/h5-14,27H,1-4H3/b20-13-,27-23-InChIKey
VRQIMIJBVCSWBT-SLIQITBESA-NSynonyms
(6Z)6((1(24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2phenyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2phenyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(OC)ccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
MFCD24857912
ZINC000041107941
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