Vitas-M small molecule compound
(6Z)-6-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}benzylidene)-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK554887
SMILES CCC(c1ccccc1OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)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 C29H28N4O3S2 MW 544.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3S2/c1-3-19(2)22-8-4-5-9-24(22)36-16-7-15-35-21-13-11-20(12-14-21)18-23-26(30)33-29(31-27(23)34)38-28(32-33)25-10-6-17-37-25/h4-6,8-14,17-19,30H,3,7,15-16H2,1-2H3/b23-18-,30-26-InChIKey
PRGCPRWUVDLGEO-QPWDRINFSA-NSynonyms
840483-87-6(6Z)6(4(3(2(butan2yl)phenoxy)propoxy)benzylidene)5imino2(thiophen2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(3(2(secbutyl)phenoxy)propoxy)benzylidene)5imino2(thiophen2yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
840483876
CCC(c1ccccc1OCCCOc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C
MFCD04007304
ZINC000004651694
ZINC000101032256
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