Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK034940
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccc(cc3)C(C)(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 C31H38N4O3S MW 546.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N4O3S/c1-5-6-7-8-9-10-27-34-35-28(32)26(29(36)33-30(35)39-27)21-22-11-15-24(16-12-22)37-19-20-38-25-17-13-23(14-18-25)31(2,3)4/h11-18,21,32H,5-10,19-20H2,1-4H3/b26-21-,32-28-InChIKey
CDVPMFCGOPGBQU-UBBYFFQGSA-NSynonyms
(6Z)6(4(2(4tertbutylphenoxy)ethoxy)benzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCCOc3ccc(cc3)C(C)(C)C)C2=N)s1
MFCD02914434
STK034940
ZINC000097958476
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