Vitas-M small molecule compound
(6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL236498
SMILES CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
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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/c1-2-36-23-16-20(11-12-22(23)37-18-19-9-5-3-6-10-19)15-21-26(29)33-28(30-27(21)35)38-24(31-33)17-25(34)32-13-7-4-8-14-32/h3,5-6,9-12,15-16,29H,2,4,7-8,13-14,17-18H2,1H3/b21-15-,29-26-InChIKey
DWQRBQDZFVDNDY-FJHSNONLSA-NSynonyms
844855-59-0(6Z)6(4(benzyloxy)3ethoxybenzylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzyloxy)3ethoxybenzylidene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844855590
CCOc1cc(ccc1OCc1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
MFCD04164961
ZINC000101108966
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