Vitas-M small molecule compound
2-methoxy-4-{(E)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate
Catalog ID
STK705254
SMILES COc1cc(ccc1OC(=O)C)/C=c\1/sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
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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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-13-4-6-15(7-5-13)10-17-21(28)24-23-26(25-17)22(29)20(32-23)12-16-8-9-18(31-14(2)27)19(11-16)30-3/h4-9,11-12H,10H2,1-3H3/b20-12+InChIKey
CXSCKIMBPWTPLV-UDWIEESQSA-NSynonyms
(2methoxy4((E)(6((4methylphenyl)methyl)37dioxo(13)thiazolo(32b)(124)triazin2ylidene)methyl)phenyl)acetate
2methoxy4((E)(6(4methylbenzyl)37dioxo7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)phenylacetate
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)SC3=NC2=O
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
InChI=1SC23H19N3O5Sc1134615(7513)101721(28)242326(2517)22(29)20(3223)12168918(3114(2)27)19(1116)303h491112H10H213H3b2012+
MFCD04446763
ZINC000016734695
ZINC16734695
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