Vitas-M small molecule compound
(6Z)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-[4-(3-phenoxypropoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK555148
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCCOc3ccccc3)/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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c29-26-23(18-20-10-12-22(13-11-20)37-17-7-16-36-21-8-3-1-4-9-21)27(35)30-28-33(26)31-24(38-28)19-25(34)32-14-5-2-6-15-32/h1,3-4,8-13,18,29H,2,5-7,14-17,19H2/b23-18-,29-26-InChIKey
NHKBAQWZWNGLDQ-FIDZNAPBSA-NSynonyms
840509-82-2(6Z)5imino2(2oxo2(piperidin1yl)ethyl)6(4(3phenoxypropoxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino2(2oxo2(piperidin1yl)ethyl)6(4(3phenoxypropoxy)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
840509822
MFCD04009158
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCCOc3ccccc3)C2=N)s1
ZINC000101034468
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