Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-5-imino-6-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727491
SMILES COc1ccc(cc1)OCCn1cc(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 C30H25N5O3S2 MW 567.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3S2/c1-37-22-11-13-23(14-12-22)38-16-15-34-18-21(24-9-5-6-10-26(24)34)17-25-27(31)35-29(32-28(25)36)40-30(33-35)39-19-20-7-3-2-4-8-20/h2-14,17-18,31H,15-16,19H2,1H3/b25-17-,31-27-InChIKey
XNEAWEOKADWMNF-ICDTUWNZSA-NSynonyms
(6Z)2(benzylsulfanyl)5imino6((1(2(4methoxyphenoxy)ethyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(benzylthio)5imino6((1(2(4methoxyphenoxy)ethyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1)OCCn1cc(c2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD03258617
ZINC000097964341
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