Vitas-M small molecule compound
(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL235975
SMILES COc1cc(ccc1OCc1ccc2c(c1)OCO2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
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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 C27H25N5O6S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O6S/c1-35-21-11-16(4-6-19(21)36-14-17-5-7-20-22(12-17)38-15-37-20)10-18-25(28)32-27(29-26(18)34)39-23(30-32)13-24(33)31-8-2-3-9-31/h4-7,10-12,28H,2-3,8-9,13-15H2,1H3/b18-10-,28-25-InChIKey
KFDZLCWVXGUBMA-VWJYBFMBSA-NSynonyms
845668-00-0(6Z)6(4(13benzodioxol5ylmethoxy)3methoxybenzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzo(d)(13)dioxol5ylmethoxy)3methoxybenzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845668000
COc1cc(ccc1OCc1ccc2c(c1)OCO2)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD04169264
ZINC000101116574
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