Vitas-M small molecule compound
(6E)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK555876
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/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 C29H28N6O3S MW 540.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O3S/c30-27-23(28(37)31-29-35(27)32-25(39-29)18-26(36)33-13-7-2-8-14-33)17-20-19-34(24-12-6-5-11-22(20)24)15-16-38-21-9-3-1-4-10-21/h1,3-6,9-12,17,19,30H,2,7-8,13-16,18H2/b23-17+,30-27-InChIKey
VPIIOUNLQSDUOL-DLMZHMIKSA-NSynonyms
843616-80-8(6E)5imino2(2oxo2(piperidin1yl)ethyl)6((1(2phenoxyethyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino2(2oxo2(piperidin1yl)ethyl)6((1(2phenoxyethyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
843616808
MFCD04014219
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccccc3)C2=N)s1
ZINC000101041761
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