Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-5-imino-6-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727483
SMILES Cc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
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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 C31H27N5O2S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O2S2/c1-21-10-5-8-15-27(21)38-17-9-16-35-19-23(24-13-6-7-14-26(24)35)18-25-28(32)36-30(33-29(25)37)40-31(34-36)39-20-22-11-3-2-4-12-22/h2-8,10-15,18-19,32H,9,16-17,20H2,1H3/b25-18-,32-28-InChIKey
INJUNGSWUDQFTG-HSGLOPJHSA-NSynonyms
(6Z)2(benzylsulfanyl)5imino6((1(3(2methylphenoxy)propyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)5imino6((1(3(otolyloxy)propyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1ccccc1OCCCn1cc(c2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD03570485
ZINC000097964344
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