Vitas-M small molecule compound
(6Z)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-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
STK727487
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc2c(c1)cccc2)C)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 C30H25N5O2S MW 519.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O2S/c1-18-8-4-7-11-26(18)37-17-27-33-35-28(31)25(29(36)32-30(35)38-27)16-23-14-19(2)34(20(23)3)24-13-12-21-9-5-6-10-22(21)15-24/h4-16,31H,17H2,1-3H3/b25-16-,31-28-InChIKey
HCHFBCNAFXIIJQ-XGGIGLJWSA-NSynonyms
472983-63-4(6Z)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)5imino2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
472983634
MFCD03255025
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccc2)C)COc1ccccc1C
ZINC000009465390
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