Vitas-M small molecule compound
methyl 2-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK775688
SMILES COC(=O)c1c(NC(=S)NC(=O)c2c(Br)cnn2C)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/c1-23-14(11(19)9-20-23)15(24)21-18(27)22-16-13(17(25)26-2)10-7-5-3-4-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,21,22,24,27)InChIKey
BXPULXIKENDPCE-UHFFFAOYSA-NSynonyms
957012-85-0957012850
CN1C(=C(C=N1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC18H21BrN4O3S2c12314(11(19)92023)15(24)2118(27)221613(17(25)262)1075346812(10)2816h9H38H212H3(H221222427)
methyl2((((4bromo1methyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4bromo2methylpyrazole3carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(4bromo1methyl1Hpyrazole5carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD05257688
ZINC000002450154
ZINC02450154
ZINC2450154
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