Vitas-M small molecule compound
2-chloro-5-{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
STK678776
SMILES OC(=O)c1cc(ccc1Cl)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 C24H15ClN2O5S2 MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15ClN2O5S2/c25-15-7-5-11(9-14(15)23(30)31)16-8-6-12(32-16)10-18-21(29)27-22-19(20(28)26-24(27)34-18)13-3-1-2-4-17(13)33-22/h5-10H,1-4H2,(H,30,31)/b18-10-InChIKey
SYBZYLXEQQARFE-ZDLGFXPLSA-NSynonyms
2chloro5(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(=C(C=C6)Cl)C(=O)O)SC4=NC3=O
InChI=1SC24H15ClN2O5S2c25157511(914(15)23(30)31)168612(3216)101821(29)272219(20(28)2624(27)3418)13312417(13)3322h510H14H2(H3031)b1810
MFCD03308316
OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
ZINC000003619138
ZINC3619138
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