Vitas-M small molecule compound
propan-2-yl 2-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302758
SMILES CC(OC(=O)c1c(NC(=O)c2cccc(c2)Cn2nc(c(c2C)Br)C)sc2c1CCCC2)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 C25H28BrN3O3S MW 530.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrN3O3S/c1-14(2)32-25(31)21-19-10-5-6-11-20(19)33-24(21)27-23(30)18-9-7-8-17(12-18)13-29-16(4)22(26)15(3)28-29/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,27,30)InChIKey
SWCKLJMSLSBTTC-UHFFFAOYSA-NSynonyms
957506-91-1957506911
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C)Br
InChI=1SC25H28BrN3O3Sc114(2)3225(31)211910561120(19)3324(21)2723(30)1897817(1218)132916(4)22(26)15(3)2829h791214H56101113H214H3(H2730)
MFCD04048292
propan2yl2(((3((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((3((4bromo35dimethylpyrazol1yl)methyl)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002114527
ZINC02114527
ZINC2114527
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