Vitas-M small molecule compound
7-[(4-chlorobenzyl)sulfanyl]-12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Catalog ID
STK593770
SMILES CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)Cl)nnc2n2c1ncn2
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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 C20H17ClN6S2 MW 440.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6S2/c1-11-2-7-15-14(8-11)16-17-22-10-23-27(17)19-24-25-20(26(19)18(16)29-15)28-9-12-3-5-13(21)6-4-12/h3-6,10-11H,2,7-9H2,1H3InChIKey
XGVZMVRPJZNVBC-UHFFFAOYSA-NSynonyms
862200-42-87((4chlorobenzyl)sulfanyl)12methyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidine
7((4chlorobenzyl)thio)12methyl10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidine
862200428
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC=C(C=C5)Cl)N6C3=NC=N6
InChI=1SC20H17ClN6S2c111271514(811)161722102327(17)19242520(26(19)18(16)2915)289123513(21)6412h361011H279H21H3
MFCD05697384
ZINC000009292049
ZINC000009292050
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