Vitas-M small molecule compound
2-(5-{(Z)-[7-(2-chlorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-12-ium-10(9H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK568618
SMILES [O-]C(=O)c1ccccc1c1ccc(o1)/C=c/1\sc2=[NH+]C3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
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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 C32H21ClN2O4S MW 565.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21ClN2O4S/c33-25-12-6-5-11-23(25)29-24-15-13-18-7-1-2-8-20(18)28(24)34-32-35(29)30(36)27(40-32)17-19-14-16-26(39-19)21-9-3-4-10-22(21)31(37)38/h1-12,14,16-17,29H,13,15H2,(H,37,38)/b27-17-InChIKey
NAMZJMNVTQSOFV-PKAZHMFMSA-NSynonyms
(O)C(=O)c1ccccc1c1ccc(o1)C=c1sc2=(NH+)C3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
MFCD03677928
ZINC000002591521
ZINC000002591523
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