Vitas-M small molecule compound
methyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK317717
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)Cn2ncc(c2)Br)sc2c1CCCCC2
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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 C23H23BrN4O3S2 MW 547.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O3S2/c1-31-22(30)19-17-5-3-2-4-6-18(17)33-21(19)27-23(32)26-20(29)15-9-7-14(8-10-15)12-28-13-16(24)11-25-28/h7-11,13H,2-6,12H2,1H3,(H2,26,27,29,32)InChIKey
WHYPKNMYCQXXIP-UHFFFAOYSA-NSynonyms
494217-92-4494217924
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br
InChI=1SC23H23BrN4O3S2c13122(30)19175324618(17)3321(19)2723(32)2620(29)159714(81015)12281316(24)112528h71113H2612H21H3(H226272932)
methyl2((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4((4bromopyrazol1yl)methyl)benzoyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD02608908
ZINC000002108605
ZINC02108605
ZINC2108605
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