Vitas-M small molecule compound
4-{(E)-[3,7-dioxo-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK705917
SMILES CCCOc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C/c1ccc(c(c1)OC)OC(=O)C)/c2=O
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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 C25H23N3O6S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6S/c1-4-11-33-18-8-5-16(6-9-18)12-19-23(30)26-25-28(27-19)24(31)22(35-25)14-17-7-10-20(34-15(2)29)21(13-17)32-3/h5-10,13-14H,4,11-12H2,1-3H3/b22-14+InChIKey
CRGXGHZJQUUELF-HYARGMPZSA-NSynonyms
(4((E)(37DIOXO6((4PROPOXYPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZIN2YLIDENE)METHYL)2METHOXYPHENYL)ACETATE
(Z)4((37dioxo6(4propoxybenzyl)37dihydro2Hthiazolo(32b)(124)triazin2ylidene)methyl)2methoxyphenylacetate
4((E)(37dioxo6(4propoxybenzyl)7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)2methoxyphenylacetate
CCCOC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)SC3=NC2=O
CCCOc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1ccc(c(c1)OC)OC(=O)C)c2=O
InChI=1SC25H23N3O6Sc141133188516(6918)121923(30)262528(2719)24(31)22(3525)141771020(3415(2)29)21(1317)323h5101314H41112H213H3b2214+
MFCD04446854
ZINC000026779395
ZINC26779395
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