Vitas-M small molecule compound

(6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-2-hexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STL145992
SMILES CCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc4c(c3)cccc4)C)/C2=N)s1

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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 C28H29N5OS MW 483.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5OS/c1-4-5-6-7-12-25-31-33-26(29)24(27(34)30-28(33)35-25)17-22-15-18(2)32(19(22)3)23-14-13-20-10-8-9-11-21(20)16-23/h8-11,13-17,29H,4-7,12H2,1-3H3/b24-17+,29-26-
InChIKey
VRRXBAPYLBVOBZ-BJVQSHRUSA-N
Synonyms
850752-42-0
(6E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)2hexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)2hexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850752420
CCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc4c(c3)cccc4)C)C2=N)s1
MFCD05694867
ZINC000009293187

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Available files

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