Vitas-M small molecule compound
ethyl 4-{5-[(Z)-(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK766470
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c/1\sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
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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 C26H20N2O5S2 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5S2/c1-2-32-25(31)15-9-7-14(8-10-15)18-12-11-16(33-18)13-20-23(30)28-24-21(22(29)27-26(28)35-20)17-5-3-4-6-19(17)34-24/h7-13H,2-6H2,1H3/b20-13-InChIKey
JXLKDVQZAWNXCR-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N4C5=C(C6=C(S5)CCCC6)C(=O)N=C4S3
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
ethyl4(5((Z)(15dioxo6789tetrahydro5H(1)benzothieno(32e)(13)thiazolo(32a)pyrimidin2(1H)ylidene)methyl)furan2yl)benzoate
InChI=1SC26H20N2O5S2c123225(31)159714(81015)18121116(3318)132023(30)282421(22(29)2726(28)3520)17534619(17)3424h713H26H21H3b2013
MFCD03017731
ZINC000002191647
ZINC02191647
ZINC2191647
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