Vitas-M small molecule compound
(6Z)-5-imino-6-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL238895
SMILES COc1cc(ccc1OCc1ccc(cc1)C)/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/c1-18-6-8-19(9-7-18)17-37-22-11-10-20(15-23(22)36-2)14-21-26(29)33-28(30-27(21)35)38-24(31-33)16-25(34)32-12-4-3-5-13-32/h6-11,14-15,29H,3-5,12-13,16-17H2,1-2H3/b21-14-,29-26-InChIKey
IPGRDCBSBIXABQ-SHOHTREXSA-NSynonyms
845650-29-5(6Z)5imino6(3methoxy4((4methylbenzyl)oxy)benzylidene)2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(3methoxy4((4methylbenzyl)oxy)benzylidene)2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845650295
COc1cc(ccc1OCc1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
MFCD04167681
ZINC000101114073
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