Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[5-methyl-6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenyl acetate
Catalog ID
STK907044
SMILES CCOc1cc(ccc1OC(=O)C)/C=c/1\sc2n(c1=O)c(C)c(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 C26H24N2O5S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S/c1-5-32-22-13-19(10-11-21(22)33-17(4)29)14-23-25(31)28-16(3)20(24(30)27-26(28)34-23)12-18-8-6-15(2)7-9-18/h6-11,13-14H,5,12H2,1-4H3/b23-14-InChIKey
GSXUTFASVVYYBS-UCQKPKSFSA-NSynonyms
(2ethoxy4((Z)(5methyl6((4methylphenyl)methyl)37dioxo(13)thiazolo(32a)pyrimidin2ylidene)methyl)phenyl)acetate
2ethoxy4((Z)(5methyl6(4methylbenzyl)37dioxo7H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)phenylacetate
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(=C(C(=O)N=C3S2)CC4=CC=C(C=C4)C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)c(C)c(c(=O)n2)Cc1ccc(cc1)C
InChI=1SC26H24N2O5Sc1532221319(101121(22)3317(4)29)142325(31)2816(3)20(24(30)2726(28)3423)12188615(2)7918h6111314H512H214H3b2314
MFCD18076424
ZINC000027023159
ZINC27023159
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