Vitas-M small molecule compound
methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate
Catalog ID
STK542956
SMILES COC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cc(cc2)Br
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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 C18H16BrN3O2S MW 418.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O2S/c1-24-17(23)16-15(13-9-12(19)7-8-14(13)21-16)22-18(25)20-10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3,(H2,20,22,25)InChIKey
BANTVYVADXAAME-UHFFFAOYSA-NSynonyms
488095-87-0488095870
COC(=O)c1(nH)c2c(c1NC(=S)NCc1ccccc1)cc(cc2)Br
COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC3=CC=CC=C3
InChI=1SC18H16BrN3O2Sc12417(23)1615(13912(19)7814(13)2116)2218(25)2010115324611h2921H10H21H3(H2202225)
methyl3((benzylcarbamothioyl)amino)5bromo1Hindole2carboxylate
methyl3(3benzylthioureido)5bromo1Hindole2carboxylate
METHYL3(BENZYLCARBAMOTHIOYLAMINO)5BROMO1HINDOLE2CARBOXYLATE
MFCD03288279
ZINC000002326538
ZINC02326538
ZINC2326538
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