Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK003360
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccc(cc3)C3CCCCC3)/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 C33H40N4O3S MW 572.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O3S/c1-2-3-4-5-9-12-30-36-37-31(34)29(32(38)35-33(37)41-30)23-24-13-17-27(18-14-24)39-21-22-40-28-19-15-26(16-20-28)25-10-7-6-8-11-25/h13-20,23,25,34H,2-12,21-22H2,1H3/b29-23-,34-31-InChIKey
FSOQFGUVCHKIRA-BVGYNJERSA-NSynonyms
(6Z)6(4(2(4cyclohexylphenoxy)ethoxy)benzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCOc3ccc(cc3)C3CCCCC3)C2=N)s1
MFCD02119005
STK003360
ZINC000097957763
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