Vitas-M small molecule compound
methyl 3-[({4-[bis(2-chloroethyl)sulfamoyl]phenyl}carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
Catalog ID
STK685315
SMILES ClCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OC)CCCl
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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 C21H20Cl2FN3O5S MW 516.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2FN3O5S/c1-32-21(29)19-18(16-12-14(24)4-7-17(16)25-19)26-20(28)13-2-5-15(6-3-13)33(30,31)27(10-8-22)11-9-23/h2-7,12,25H,8-11H2,1H3,(H,26,28)InChIKey
AIWJZVHNRPWGEA-UHFFFAOYSA-NSynonyms
ClCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1c((nH)c2c1cc(F)cc2)C(=O)OC)CCCl
COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCCl)CCCl
InChI=1SC21H20Cl2FN3O5Sc13221(29)1918(161214(24)4717(16)2519)2620(28)132515(6313)33(3031)27(10822)11923h271225H811H21H3(H2628)
methyl3(((4(bis(2chloroethyl)sulfamoyl)phenyl)carbonyl)amino)5fluoro1Hindole2carboxylate
METHYL3((4(BIS(2CHLOROETHYL)SULFAMOYL)BENZOYL)AMINO)5FLUORO1HINDOLE2CARBOXYLATE
MFCD05858312
ZINC000001429252
ZINC1429252
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