Vitas-M small molecule compound
(6E)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL146001
SMILES COc1ccccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)COc1cccc(c1)C
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-16-8-7-9-20(12-16)35-15-24-30-32-25(28)21(26(33)29-27(32)36-24)14-19-13-17(2)31(18(19)3)22-10-5-6-11-23(22)34-4/h5-14,28H,15H2,1-4H3/b21-14+,28-25-InChIKey
MKFQXJBGWCKAJB-YXBYBVKHSA-NSynonyms
848987-83-7(6E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2((3methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2((mtolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848987837
COc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1cccc(c1)C
MFCD05678645
ZINC000009233474
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