Vitas-M small molecule compound
2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STL041053
SMILES O=C(Nc1ccc(c(c1)C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
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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 C26H24BrN3O2S2 MW 554.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O2S2/c1-15-7-10-18(13-16(15)2)28-22(31)14-33-26-29-24-23(20-5-3-4-6-21(20)34-24)25(32)30(26)19-11-8-17(27)9-12-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)InChIKey
QBDJVJUYTRACRY-UHFFFAOYSA-NSynonyms
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(34dimethylphenyl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(34dimethylphenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(34dimethylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)C
InChI=1SC26H24BrN3O2S2c11571018(1316(15)2)2822(31)143326292423(20534621(20)3424)25(32)30(26)1911817(27)91219h713H3614H212H3(H2831)
MFCD03223170
ZINC000002506932
ZINC2506932
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