Vitas-M small molecule compound

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

Catalog ID
STK712841
SMILES COc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1

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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 C27H31N5O2S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2S/c1-17-14-20(18(2)31(17)21-10-7-11-22(16-21)34-3)15-23-25(28)32-27(29-26(23)33)35-24(30-32)13-12-19-8-5-4-6-9-19/h7,10-11,14-16,19,28H,4-6,8-9,12-13H2,1-3H3/b23-15+,28-25-
InChIKey
NEAPITDNWGQONI-GFVVYQSLSA-N
Synonyms
850900-68-4
(6E)2(2cyclohexylethyl)5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850900684
COc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05695907
ZINC000009291673

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Available files

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