Vitas-M small molecule compound

N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-7,7-dimethyl-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
STK556172
SMILES O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)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 C26H21Cl2N5O3S2 MW 586.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl2N5O3S2/c1-26(2)11-18-19(12-36-26)38-23-21(18)22(35)32(17-5-3-4-15(28)10-17)24-30-31-25(33(23)24)37-13-20(34)29-16-8-6-14(27)7-9-16/h3-10H,11-13H2,1-2H3,(H,29,34)
InChIKey
SEAHKAKDWXRPBD-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC=C(C=C5)Cl)C6=CC(=CC=C6)Cl)C
InChI=1SC26H21Cl2N5O3S2c126(2)111819(123626)382321(18)22(35)32(1753415(28)1017)24303125(33(23)24)371320(34)29168614(27)7916h310H1113H212H3(H2934)
MFCD04016200
N(4chlorophenyl)2((4(3chlorophenyl)77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4chlorophenyl)2((4(3chlorophenyl)77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000001877047
ZINC01877047
ZINC1877047

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Available files

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