Vitas-M small molecule compound
methyl 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
STK568203
SMILES COC(=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 C18H21BrN4O3S2 MW 485.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4O3S2/c1-23-9-11(19)14(22-23)15(24)20-18(27)21-16-13(17(25)26-2)10-7-5-3-4-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,20,21,24,27)InChIKey
NQVYYCCEFREEFD-UHFFFAOYSA-NSynonyms
1010868-92-41010868924
CN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)Br
InChI=1SC18H21BrN4O3S2c123911(19)14(2223)15(24)2018(27)211613(17(25)262)1075346812(10)2816h9H38H212H3(H220212427)
methyl2((((4bromo1methyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4bromo1methylpyrazole3carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(4bromo1methyl1Hpyrazole3carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD05257453
ZINC000002453604
ZINC02453604
ZINC2453604
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