Vitas-M small molecule compound
(6Z)-6-[(1-{2-[2-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK060823
SMILES CCCCCCCc1sc2=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccccc3C(CC)C)/C(=N)n2n1
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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 C33H39N5O2S MW 569.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N5O2S/c1-4-6-7-8-9-18-30-36-38-31(34)27(32(39)35-33(38)41-30)21-24-22-37(28-16-12-10-15-26(24)28)19-20-40-29-17-13-11-14-25(29)23(3)5-2/h10-17,21-23,34H,4-9,18-20H2,1-3H3/b27-21-,34-31-InChIKey
FEFDOIYAOGVKFY-SHVXRWOMSA-NSynonyms
(6Z)6((1(2(2(butan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1sc2=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccccc3C(CC)C)C(=N)n2n1
MFCD02118979
STK060823
ZINC000097958800
ZINC000097958801
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