Vitas-M small molecule compound
(6Z)-6-{[1-(3,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727500
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1ccc(c(c1)Cl)Cl)COc1ccccc1C
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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 C29H21Cl2N5O2S MW 574.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N5O2S/c1-17-6-2-5-9-25(17)38-16-26-34-36-27(32)21(28(37)33-29(36)39-26)13-19-15-35(24-8-4-3-7-20(19)24)14-18-10-11-22(30)23(31)12-18/h2-13,15,32H,14,16H2,1H3/b21-13-,32-27-InChIKey
QKZYQKMICHXDHP-DKQUYOQISA-NSynonyms
(6Z)6((1(34dichlorobenzyl)1Hindol3yl)methylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(34dichlorobenzyl)1Hindol3yl)methylene)5imino2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD03565734
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)Cc1ccc(c(c1)Cl)Cl)COc1ccccc1C
ZINC000097964936
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