Vitas-M small molecule compound
(6E)-6-{4-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225086
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)OCCOc3c(C)cccc3C)/C2=N)s1)CC
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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 C27H30N4O3S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S/c1-5-20(6-2)26-30-31-24(28)22(25(32)29-27(31)35-26)16-19-10-12-21(13-11-19)33-14-15-34-23-17(3)8-7-9-18(23)4/h7-13,16,20,28H,5-6,14-15H2,1-4H3/b22-16+,28-24-InChIKey
STUJLVXGMWLXMO-YTNVXSIFSA-NSynonyms
850238-78-7(6E)6(4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850238787
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCOc3c(C)cccc3C)C2=N)s1)CC
MFCD05691773
ZINC000013807371
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