Vitas-M small molecule compound
(6Z)-6-[(2,5-dimethyl-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
STL225009
SMILES CCC(c1nn2c(=NC(=O)/C(=C\c3c(C)[nH]c4c3cc(C)cc4)/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 C21H23N5OS MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS/c1-5-13(6-2)20-25-26-18(22)16(19(27)24-21(26)28-20)10-14-12(4)23-17-8-7-11(3)9-15(14)17/h7-10,13,22-23H,5-6H2,1-4H3/b16-10-,22-18-InChIKey
IBRULUQPNTYWLM-OOVWLKTBSA-NSynonyms
(6Z)6((25dimethyl1Hindol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((25dimethyl1Hindol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCC(c1nn2c(=NC(=O)C(=Cc3c(C)(nH)c4c3cc(C)cc4)C2=N)s1)CC
MFCD05702939
ZINC000005573179
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