Vitas-M small molecule compound
ethyl 2-({[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK780186
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2nn(cc2Br)C)sc2c1CCCCCC2
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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 C19H23BrN4O3S2 MW 499.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O3S2/c1-3-27-18(26)14-11-8-6-4-5-7-9-13(11)29-17(14)22-19(28)21-16(25)15-12(20)10-24(2)23-15/h10H,3-9H2,1-2H3,(H2,21,22,25,28)InChIKey
GXCZXNUBPJTYPK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=NN(C=C3Br)C
ethyl2((((4bromo1methyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4bromo1methylpyrazole3carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC19H23BrN4O3S2c132718(26)141186457913(11)2917(14)2219(28)2116(25)1512(20)1024(2)2315h10H39H212H3(H221222528)
MFCD05859849
ZINC000012413895
ZINC12413895
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