Vitas-M small molecule compound

(6E)-6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STL224947
SMILES CCc1ccccc1n1c(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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-5-20-10-6-7-12-24(20)32-18(3)14-21(19(32)4)15-23-26(29)33-28(30-27(23)34)36-25(31-33)16-35-22-11-8-9-17(2)13-22/h6-15,29H,5,16H2,1-4H3/b23-15+,29-26-
InChIKey
BHNOAXBXYSNGCH-IQUJYTIYSA-N
Synonyms
877622-40-7
(6E)6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2((3methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2((mtolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877622407
CCc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1cccc(c1)C
MFCD05706415
ZINC000009293694

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Available files

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