Vitas-M small molecule compound
butyl 4-({[(6-{[(2-methoxyphenyl)carbonyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK687326
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1OC
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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 C28H27N3O5S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S2/c1-3-4-15-36-27(34)18-9-11-19(12-10-18)29-25(32)17-37-28-31-22-14-13-20(16-24(22)38-28)30-26(33)21-7-5-6-8-23(21)35-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,29,32)(H,30,33)InChIKey
HEGNIPINLRTZKH-UHFFFAOYSA-NSynonyms
butyl4((((6(((2methoxyphenyl)carbonyl)amino)13benzothiazol2yl)sulfanyl)acetyl)amino)benzoate
BUTYL4((2((6((2METHOXYBENZOYL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC
InChI=1SC28H27N3O5S2c134153627(34)1891119(121018)2925(32)1737283122141320(1624(22)3828)3026(33)21756823(21)352h51416H341517H212H3(H2932)(H3033)
MFCD06618377
ZINC000098008243
ZINC98008243
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