Vitas-M small molecule compound
(6Z)-5-imino-6-[(2-methyl-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
STL303034
SMILES CCC(c1nn2c(=NC(=O)/C(=C\c3c(C)[nH]c4c3cccc4)/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 C20H21N5OS MW 379.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5OS/c1-4-12(5-2)19-24-25-17(21)15(18(26)23-20(25)27-19)10-14-11(3)22-16-9-7-6-8-13(14)16/h6-10,12,21-22H,4-5H2,1-3H3/b15-10-,21-17-InChIKey
RKNUHQSHORJKPG-CCCINVTDSA-NSynonyms
(6Z)5imino6((2methyl1Hindol3yl)methylidene)2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((2methyl1Hindol3yl)methylene)2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCC(c1nn2c(=NC(=O)C(=Cc3c(C)(nH)c4c3cccc4)C2=N)s1)CC
MFCD28024903
ZINC000095471967
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