Vitas-M small molecule compound
(6Z)-5-imino-6-{4-[3-(2-methylphenoxy)propoxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL237178
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCCOc3ccccc3C)/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/c1-19-7-2-3-8-23(19)37-16-6-15-36-21-11-9-20(10-12-21)17-22-26(29)33-28(30-27(22)35)38-24(31-33)18-25(34)32-13-4-5-14-32/h2-3,7-12,17,29H,4-6,13-16,18H2,1H3/b22-17-,29-26-InChIKey
ZZZLDSQAHPYOKZ-ZQMNIXSPSA-NSynonyms
848685-07-4(6Z)5imino6(4(3(2methylphenoxy)propoxy)benzylidene)2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino2(2oxo2(pyrrolidin1yl)ethyl)6(4(3(otolyloxy)propoxy)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848685074
MFCD04191820
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCCOc3ccccc3C)C2=N)s1
ZINC000101162979
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