Vitas-M small molecule compound

3,7-bis[(2-chlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine

Catalog ID
STL039648
SMILES Clc1ccccc1CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccccc2Cl)nn1)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 C27H22Cl2N6OS3 MW 613.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N6OS3/c1-27(2)11-17-20(12-36-27)39-23-21(17)22-30-32-25(37-13-15-7-3-5-9-18(15)28)34(22)24-31-33-26(35(23)24)38-14-16-8-4-6-10-19(16)29/h3-10H,11-14H2,1-2H3
InChIKey
HGUWIMBDWJUBDL-UHFFFAOYSA-N
Synonyms

37bis((2chlorobenzyl)sulfanyl)1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a43c)pyrimidine
37bis((2chlorobenzyl)thio)1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC6=CC=CC=C6Cl)SCC7=CC=CC=C7Cl)C
InChI=1SC27H22Cl2N6OS3c127(2)111720(123627)392321(17)22303225(371315735918(15)28)34(22)24313326(35(23)24)3814168461019(16)29h310H1114H212H3
MFCD04082232
ZINC000100156765

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Available files

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