Vitas-M small molecule compound
(6Z)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK531861
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccccc3F)/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 C28H28FN5OS MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN5OS/c1-2-3-4-5-6-15-25-32-34-26(30)22(27(35)31-28(34)36-25)16-20-18-33(24-14-10-8-12-21(20)24)17-19-11-7-9-13-23(19)29/h7-14,16,18,30H,2-6,15,17H2,1H3/b22-16-,30-26-InChIKey
GYFTWHAFQUIOQY-NVRFVUTMSA-NSynonyms
(6Z)6((1(2fluorobenzyl)1Hindol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(2fluorobenzyl)1Hindol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)Cc3ccccc3F)C2=N)s1
MFCD02118449
ZINC000008450594
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