Vitas-M small molecule compound
(6E)-5-imino-2-(pentan-3-yl)-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK659938
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCCOc3ccccc3)/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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-3-19(4-2)27-31-33-25(29)23(26(34)30-28(33)36-27)17-20-18-32(24-14-9-8-13-22(20)24)15-10-16-35-21-11-6-5-7-12-21/h5-9,11-14,17-19,29H,3-4,10,15-16H2,1-2H3/b23-17+,29-25-InChIKey
NAQXMZMNPRIOTN-XHMZDMRQSA-NSynonyms
850156-96-6(6E)5imino2(pentan3yl)6((1(3phenoxypropyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino2(pentan3yl)6((1(3phenoxypropyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850156966
CCC(c1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCCOc3ccccc3)C2=N)s1)CC
MFCD05689741
ZINC000009309687
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