Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STL239966
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/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 C27H21N5O4S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O4S/c1-3-35-22-14-17(8-11-21(22)36-26(34)18-9-6-16(2)7-10-18)13-20-23(28)32-27(30-24(20)33)37-25(31-32)19-5-4-12-29-15-19/h4-15,28H,3H2,1-2H3/b20-13-,28-23-InChIKey
XTFSTEQYVAQKHZ-XWGCQZKZSA-NSynonyms
845989-19-7(Z)2ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzoate
2ethoxy4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzoate
845989197
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04171651
ZINC000009282121
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