Vitas-M small molecule compound
5-chloro-2-{5-[(E)-(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
STK678582
SMILES Clc1ccc(c(c1)C(=O)O)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/c25-11-5-7-13(15(9-11)23(30)31)16-8-6-12(32-16)10-18-21(29)27-22-19(20(28)26-24(27)34-18)14-3-1-2-4-17(14)33-22/h5-10H,1-4H2,(H,30,31)/b18-10+InChIKey
GMZMCGWDPXYCHY-VCHYOVAHSA-NSynonyms
5chloro2(5((E)(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=C(C=C(C=C6)Cl)C(=O)O)SC4=NC3=O
CHEMICALDIVERSITYLIBRARYCOMPOUND1
Clc1ccc(c(c1)C(=O)O)c1ccc(o1)C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
InChI=1SC24H15ClN2O5S2c25115713(15(911)23(30)31)168612(3216)101821(29)272219(20(28)2624(27)3418)14312417(14)3322h510H14H2(H3031)b1810+
MFCD03308219
ZINC000003618841
ZINC3618841
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