Vitas-M small molecule compound
(6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712805
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3)/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 C26H25N5OS MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS/c1-3-18(4-2)25-29-31-23(27)21(24(32)28-26(31)33-25)14-19-16-30(15-17-10-6-5-7-11-17)22-13-9-8-12-20(19)22/h5-14,16,18,27H,3-4,15H2,1-2H3/b21-14+,27-23-InChIKey
PDWTZEDPDHVUGZ-UDAXPUTOSA-NSynonyms
862485-59-4(6E)6((1benzyl1Hindol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1benzyl1Hindol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862485594
CCC(c1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)Cc3ccccc3)C2=N)s1)CC
MFCD05698746
ZINC000009292424
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