Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK039608
SMILES CCCCCCCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)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 C32H39BrN4O4S MW 655.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39BrN4O4S/c1-6-7-8-9-10-11-27-36-37-29(34)24(30(38)35-31(37)42-27)18-21-19-25(33)28(26(20-21)39-5)41-17-16-40-23-14-12-22(13-15-23)32(2,3)4/h12-15,18-20,34H,6-11,16-17H2,1-5H3/b24-18-,34-29-InChIKey
WJUAVBMITMUNMN-WLTWLNJMSA-NSynonyms
(6Z)6(3bromo4(2(4tertbutylphenoxy)ethoxy)5methoxybenzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1sc2=NC(=O)C(=Cc3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)C(=N)n2n1
MFCD02914435
STK039608
ZINC000097958528
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