Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-({1-[3-(3,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727557
SMILES Cc1cc(OCCCn2cc(c3c2cccc3)/C=C/2\C(=O)N=c3n(C2=N)nc(s3)SCc2ccccc2)cc(c1)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 C32H29N5O2S2 MW 579.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O2S2/c1-21-15-22(2)17-25(16-21)39-14-8-13-36-19-24(26-11-6-7-12-28(26)36)18-27-29(33)37-31(34-30(27)38)41-32(35-37)40-20-23-9-4-3-5-10-23/h3-7,9-12,15-19,33H,8,13-14,20H2,1-2H3/b27-18-,33-29-InChIKey
BNBDAZPVUSPIFE-ZQXNBSTQSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(3(35dimethylphenoxy)propyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)6((1(3(35dimethylphenoxy)propyl)1Hindol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1cc(OCCCn2cc(c3c2cccc3)C=C2C(=O)N=c3n(C2=N)nc(s3)SCc2ccccc2)cc(c1)C
MFCD03574806
ZINC000097964345
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