Vitas-M small molecule compound

(6E)-5-imino-6-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STK712813
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3cccc(c3)C)/C2=N)s1)CC

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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 C27H27N5OS MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5OS/c1-4-19(5-2)26-30-32-24(28)22(25(33)29-27(32)34-26)14-20-16-31(23-12-7-6-11-21(20)23)15-18-10-8-9-17(3)13-18/h6-14,16,19,28H,4-5,15H2,1-3H3/b22-14+,28-24-
InChIKey
UPIGOILWIMYOID-VPEHMGNRSA-N
Synonyms
877796-85-5
(6E)5imino6((1(3methylbenzyl)1Hindol3yl)methylidene)2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(3methylbenzyl)1Hindol3yl)methylene)2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877796855
CCC(c1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)Cc3cccc(c3)C)C2=N)s1)CC
MFCD05703301
ZINC000009293490

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Available files

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