Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK032166
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C31H36N4O4S MW 560.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O4S/c1-31(2,3)22-11-13-23(14-12-22)38-16-17-39-25-15-10-20(19-26(25)37-4)18-24-27(32)35-30(33-28(24)36)40-29(34-35)21-8-6-5-7-9-21/h10-15,18-19,21,32H,5-9,16-17H2,1-4H3/b24-18-,32-27-InChIKey
VOEDTYNLAZFFBT-CGAPWEMKSA-NSynonyms
(6Z)6(4(2(4tertbutylphenoxy)ethoxy)3methoxybenzylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD08050335
STK032166
ZINC000097958177
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