Vitas-M small molecule compound
N-(4-bromophenyl)-2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK543929
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(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 C27H24BrN5O3S2 MW 610.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrN5O3S2/c1-15-5-4-6-18(11-15)32-23(35)22-19-12-27(2,3)36-13-20(19)38-24(22)33-25(32)30-31-26(33)37-14-21(34)29-17-9-7-16(28)8-10-17/h4-11H,12-14H2,1-3H3,(H,29,34)InChIKey
DIMNDZHTNYWERS-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=CC=C(C=C5)Br)SC6=C3CC(OC6)(C)C
InChI=1SC27H24BrN5O3S2c11554618(1115)3223(35)22191227(23)361320(19)3824(22)3325(32)303126(33)371421(34)29179716(28)81017h411H1214H213H3(H2934)
MFCD03295750
N(4bromophenyl)2((77dimethyl4(3methylphenyl)5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4bromophenyl)2((77dimethyl5oxo4(mtolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000102436818
ZINC102436818
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