Vitas-M small molecule compound
4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 3,4-dimethoxybenzoate
Catalog ID
STL161744
SMILES COc1cc(ccc1OC)C(=O)Oc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C26H19N5O5S MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O5S/c1-34-20-10-7-16(13-21(20)35-2)25(33)36-18-8-5-15(6-9-18)12-19-22(27)31-26(29-23(19)32)37-24(30-31)17-4-3-11-28-14-17/h3-14,27H,1-2H3/b19-12-,27-22-InChIKey
OQXLHQLCIPSKEQ-PMFZMJORSA-NSynonyms
845799-80-6(Z)4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl34dimethoxybenzoate
4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl34dimethoxybenzoate
845799806
COc1cc(ccc1OC)C(=O)Oc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04169736
ZINC000009281900
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