Vitas-M small molecule compound
(6Z)-5-imino-6-(4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK836153
SMILES CCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3cc(C)ccc3C(C)C)/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 C27H30N4O3S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S/c1-5-6-24-30-31-25(28)22(26(32)29-27(31)35-24)16-19-8-10-20(11-9-19)33-13-14-34-23-15-18(4)7-12-21(23)17(2)3/h7-12,15-17,28H,5-6,13-14H2,1-4H3/b22-16-,28-25-InChIKey
TXPUQXHPXFQCRU-SVLBQRFGSA-NSynonyms
(6Z)5imino6(4(2(5methyl2(propan2yl)phenoxy)ethoxy)benzylidene)2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(4(2(2isopropyl5methylphenoxy)ethoxy)benzylidene)2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCOc3cc(C)ccc3C(C)C)C2=N)s1
MFCD02118349
ZINC000008453064
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