Vitas-M small molecule compound
3-{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}benzoic acid
Catalog ID
STK678125
SMILES OC(=O)c1cccc(c1)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 C24H16N2O5S2 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O5S2/c27-20-19-15-6-1-2-7-17(15)32-22(19)26-21(28)18(33-24(26)25-20)11-14-8-9-16(31-14)12-4-3-5-13(10-12)23(29)30/h3-5,8-11H,1-2,6-7H2,(H,29,30)/b18-11-InChIKey
DBJDVODHJKLQCO-WQRHYEAKSA-NSynonyms
3(5((Z)(15dioxo6789tetrahydro5H(1)benzothieno(32e)(13)thiazolo(32a)pyrimidin2(1H)ylidene)methyl)furan2yl)benzoicacid
C1CCC2=C(C1)C3=C(S2)N4C(=O)C(=CC5=CC=C(O5)C6=CC(=CC=C6)C(=O)O)SC4=NC3=O
InChI=1SC24H16N2O5S2c27201915612717(15)3222(19)2621(28)18(3324(26)2520)11148916(3114)1243513(1012)23(29)30h35811H1267H2(H2930)b1811
MFCD03018082
OC(=O)c1cccc(c1)c1ccc(o1)C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
ZINC000003617901
ZINC3617901
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