Vitas-M small molecule compound
7-[(4-bromobenzyl)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:1',5'-c]pyrimidine
Catalog ID
STK577449
SMILES Brc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)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 C20H17BrN6OS2 MW 501.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN6OS2/c1-20(2)7-13-14(8-28-20)30-17-15(13)16-22-10-23-27(16)18-24-25-19(26(17)18)29-9-11-3-5-12(21)6-4-11/h3-6,10H,7-9H2,1-2H3InChIKey
NLRIUTQRKUOPDY-UHFFFAOYSA-NSynonyms
862193-97-37((4bromobenzyl)sulfanyl)1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidine
7((4bromobenzyl)thio)1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidine
862193973
CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC6=CC=C(C=C6)Br)C
InChI=1SC20H17BrN6OS2c120(2)71314(82820)301715(13)1622102327(16)18242519(26(17)18)299113512(21)6411h3610H79H212H3
MFCD05696648
ZINC000013810911
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