Vitas-M small molecule compound
(6Z)-6-{4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL233397
SMILES Cc1cc(OCCOc2ccc(cc2)/C=C/2\C(=O)N=c3n(C2=N)nc(s3)CC(=O)N2CCCC2)cc(c1)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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c1-18-13-19(2)15-22(14-18)37-12-11-36-21-7-5-20(6-8-21)16-23-26(29)33-28(30-27(23)35)38-24(31-33)17-25(34)32-9-3-4-10-32/h5-8,13-16,29H,3-4,9-12,17H2,1-2H3/b23-16-,29-26-InChIKey
ISMBIVXRFFODAM-LEPGYMSLSA-NSynonyms
847035-18-1(6Z)6(4(2(35dimethylphenoxy)ethoxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(35dimethylphenoxy)ethoxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847035181
Cc1cc(OCCOc2ccc(cc2)C=C2C(=O)N=c3n(C2=N)nc(s3)CC(=O)N2CCCC2)cc(c1)C
MFCD04178169
ZINC000101135787
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