Vitas-M small molecule compound
(6Z)-6-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017531
SMILES CCOc1cc(ccc1OCCOc1cc(C)cc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C27H30N4O4S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4S/c1-6-33-23-15-19(7-8-22(23)35-10-9-34-20-12-17(4)11-18(5)13-20)14-21-24(28)31-27(29-25(21)32)36-26(30-31)16(2)3/h7-8,11-16,28H,6,9-10H2,1-5H3/b21-14-,28-24-InChIKey
LEDFVUHBIIVUEF-JTCIKWTMSA-NSynonyms
(6Z)6(4(2(35dimethylphenoxy)ethoxy)3ethoxybenzylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCOc1cc(C)cc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD09959951
STK017531
ZINC000013940216
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