Vitas-M small molecule compound
(6Z)-6-(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK098490
SMILES CCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(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 C27H29BrN4O4S MW 585.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN4O4S/c1-5-16(3)18-7-9-19(10-8-18)35-11-12-36-24-21(28)14-17(15-22(24)34-4)13-20-25(29)32-27(30-26(20)33)37-23(6-2)31-32/h7-10,13-16,29H,5-6,11-12H2,1-4H3/b20-13-,29-25-InChIKey
SXHFQXSZWJKYQF-VDYSANCASA-NSynonyms
(6Z)6(3bromo4(2(4(butan2yl)phenoxy)ethoxy)5methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1sc2=NC(=O)C(=Cc3cc(Br)c(c(c3)OC)OCCOc3ccc(cc3)C(CC)C)C(=N)n2n1
MFCD02643040
STK098490
ZINC000100642132
ZINC000100642133
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