Vitas-M small molecule compound
(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK024683
SMILES CCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3Cl)/C2=N)s1
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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 C23H18ClN5OS MW 447.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5OS/c1-2-20-27-29-21(25)17(22(30)26-23(29)31-20)11-15-13-28(19-10-6-4-8-16(15)19)12-14-7-3-5-9-18(14)24/h3-11,13,25H,2,12H2,1H3/b17-11+,25-21+InChIKey
AGTLDXHXAXIYTQ-UPKYMQCOSA-NSynonyms
(6E)6((1(2chlorobenzyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(2chlorobenzyl)1Hindol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)Cc3ccccc3Cl)C2=N)s1
MFCD03227302
STK024683
ZINC000009113630
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