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-(2-ethyl-6-methylphenyl)acetamide
Catalog ID
STL380488
SMILES CCc1cccc(c1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3)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 C27H26BrN3O2S2 MW 568.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O2S2/c1-3-17-8-6-7-16(2)24(17)29-22(32)15-34-27-30-25-23(20-9-4-5-10-21(20)35-25)26(33)31(27)19-13-11-18(28)12-14-19/h6-8,11-14H,3-5,9-10,15H2,1-2H3,(H,29,32)InChIKey
AHSIJDAJSAPBSN-UHFFFAOYSA-NSynonyms
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(2ethyl6methylphenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(2ethyl6methylphenyl)acetamide
CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)C
InChI=1SC27H26BrN3O2S2c131786716(2)24(17)2922(32)153427302523(209451021(20)3525)26(33)31(27)19131118(28)121419h681114H3591015H212H3(H2932)
MFCD03223150
ZINC000100354930
ZINC100354930
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