Vitas-M small molecule compound
methyl 2-[({2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK456136
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2nn(c(c2Br)C)C)sc2c1CCC(C2)C
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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 C18H22BrN5O3S2 MW 500.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrN5O3S2/c1-8-5-6-10-11(7-8)29-16(12(10)17(26)27-4)20-18(28)22-21-15(25)14-13(19)9(2)24(3)23-14/h8H,5-7H2,1-4H3,(H,21,25)(H2,20,22,28)InChIKey
FWHDEVCLFUEMRV-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=NN(C(=C3Br)C)C
InChI=1SC18H22BrN5O3S2c18561011(78)2916(12(10)17(26)274)2018(28)222115(25)1413(19)9(2)24(3)2314h8H57H214H3(H2125)(H2202228)
methyl2(((2((4bromo15dimethyl1Hpyrazol3yl)carbonyl)hydrazinyl)carbonothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((4bromo15dimethylpyrazole3carbonyl)amino)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD05075685
ZINC000002857382
ZINC000002857383
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