Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305146
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(c(c1Br)C)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 C29H33BrN6O4S2 MW 673.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33BrN6O4S2/c1-6-39-19-13-11-18(12-14-19)36-26(25-24(30)17(4)35(5)34-25)32-33-29(36)41-15-22(37)31-27-23(28(38)40-16(2)3)20-9-7-8-10-21(20)42-27/h11-14,16H,6-10,15H2,1-5H3,(H,31,37)InChIKey
XJNHWDOAWHACNR-UHFFFAOYSA-NSynonyms
1005606-58-51005606585
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=NN(C(=C5Br)C)C
InChI=1SC29H33BrN6O4S2c163919131118(121419)3626(2524(30)17(4)35(5)3425)323329(36)411522(37)312723(28(38)4016(2)3)209781021(20)4227h111416H61015H215H3(H3137)
MFCD04049146
propan2yl2((((5(4bromo15dimethyl1Hpyrazol3yl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4bromo15dimethylpyrazol3yl)4(4ethoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000097949227
ZINC97949227
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