Vitas-M small molecule compound
2,2'-(11,12,13,14-tetrahydro-10H-cyclohepta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis[1-(4-chlorophenyl)ethanone]
Catalog ID
STK531567
SMILES Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Cl)nn1)CCCCC3
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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 C29H22Cl2N6O2S3 MW 653.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N6O2S3/c30-18-10-6-16(7-11-18)21(38)14-40-28-34-32-25-24-20-4-2-1-3-5-23(20)42-26(24)37-27(36(25)28)33-35-29(37)41-15-22(39)17-8-12-19(31)13-9-17/h6-13H,1-5,14-15H2InChIKey
BNMVIPUBADTSDA-UHFFFAOYSA-NSynonyms
22((11121314tetrahydro10Hcyclohepta(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(1(4chlorophenyl)ethanone)
22(11121314tetrahydro10Hcyclohepta(45)thieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyldisulfanediyl)bis(1(4chlorophenyl)ethanone)
C1CCC2=C(CC1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)C6=CC=C(C=C6)Cl)SCC(=O)C7=CC=C(C=C7)Cl
InChI=1SC29H22Cl2N6O2S3c301810616(71118)21(38)14402834322524204213523(20)4226(24)3727(36(25)28)333529(37)411522(39)1781219(31)13917h613H151415H2
MFCD01954743
ZINC000150411580
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