Vitas-M small molecule compound
ethyl {[12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl]sulfanyl}acetate
Catalog ID
STK928537
SMILES CCOC(=O)CSc1nnc2n1c(=O)c1c(n2CC(=O)OCC)c2ccccc2CC21CCCCC2
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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 C26H30N4O5S MW 510.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5S/c1-3-34-19(31)15-29-22-18-11-7-6-10-17(18)14-26(12-8-5-9-13-26)21(22)23(33)30-24(29)27-28-25(30)36-16-20(32)35-4-2/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3InChIKey
HWUWMLBMRYMMLN-UHFFFAOYSA-NSynonyms
827002-87-9827002879
CCOC(=O)CN1C2=C(C(=O)N3C1=NN=C3SCC(=O)OCC)C4(CCCCC4)CC5=CC=CC=C52
ethyl((12(2ethoxy2oxoethyl)7oxo712dihydro5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)9yl)sulfanyl)acetate
ethyl2((12(2ethoxy2oxoethyl)7oxo712dihydro5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)9yl)thio)acetate
InChI=1SC26H30N4O5Sc133419(31)1529221811761017(18)1426(128591326)21(22)23(33)3024(29)272825(30)361620(32)3542h671011H35891216H212H3
MFCD04162029
ZINC000001077910
ZINC01077910
ZINC1077910
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