Vitas-M small molecule compound
N-(4-bromophenyl)-2-{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL035100
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C27H26BrN3O4S2 MW 600.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O4S2/c1-4-34-19-11-9-18(10-12-19)31-25(33)23-20-13-27(2,3)35-14-21(20)37-24(23)30-26(31)36-15-22(32)29-17-7-5-16(28)6-8-17/h5-12H,4,13-15H2,1-3H3,(H,29,32)InChIKey
NGQBZPRSQGHXMR-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)Br)SC5=C3CC(OC5)(C)C
InChI=1SC27H26BrN3O4S2c14341911918(101219)3125(33)23201327(23)351421(20)3724(23)3026(31)361522(32)29177516(28)6817h512H41315H213H3(H2932)
MFCD04082729
N(4bromophenyl)2((3(4ethoxyphenyl)66dimethyl4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4bromophenyl)2((3(4ethoxyphenyl)66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
N(4bromophenyl)2((3(4ethoxyphenyl)66dimethyl4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
ZINC000100156474
ZINC100156474
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