Vitas-M small molecule compound
4-[(Z)-(6-benzyl-5-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-ethoxyphenyl acetate
Catalog ID
STK905144
SMILES CCOc1cc(ccc1OC(=O)C)/C=c/1\sc2n(c1=O)c(C)c(c(=O)n2)Cc1ccccc1
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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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-4-31-21-13-18(10-11-20(21)32-16(3)28)14-22-24(30)27-15(2)19(23(29)26-25(27)33-22)12-17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3/b22-14-InChIKey
OMBOKICKSGTBDA-HMAPJEAMSA-NSynonyms
(4((Z)(6benzyl5methyl37dioxo(13)thiazolo(32a)pyrimidin2ylidene)methyl)2ethoxyphenyl)acetate
4((Z)(6benzyl5methyl37dioxo7H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(=C(C(=O)N=C3S2)CC4=CC=CC=C4)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)c(C)c(c(=O)n2)Cc1ccccc1
InChI=1SC25H22N2O5Sc1431211318(101120(21)3216(3)28)142224(30)2715(2)19(23(29)2625(27)3322)12178657917h5111314H412H213H3b2214
MFCD18076268
ZINC000027022699
ZINC27022699
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