Vitas-M small molecule compound
ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317680
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)Cn2ncc(c2)Br)sc2c1CCC(C2)CC
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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 C25H27BrN4O3S2 MW 575.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O3S2/c1-3-15-7-10-19-20(11-15)35-23(21(19)24(32)33-4-2)29-25(34)28-22(31)17-8-5-16(6-9-17)13-30-14-18(26)12-27-30/h5-6,8-9,12,14-15H,3-4,7,10-11,13H2,1-2H3,(H2,28,29,31,34)InChIKey
BTMIFNNSXMLMQG-UHFFFAOYSA-NSynonyms
494219-03-3494219033
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br
ethyl2((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4((4bromopyrazol1yl)methyl)benzoyl)carbamothioylamino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H27BrN4O3S2c13157101920(1115)3523(21(19)24(32)3342)2925(34)2822(31)178516(6917)13301418(26)122730h5689121415H347101113H212H3(H228293134)
MFCD02608627
ZINC000002108946
ZINC000002108948
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