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}-2-methoxyphenyl 4-(propan-2-yl)benzoate
Catalog ID
STL241004
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)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 C28H23N5O4S MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O4S/c1-16(2)18-7-9-19(10-8-18)27(35)37-22-11-6-17(14-23(22)36-3)13-21-24(29)33-28(31-25(21)34)38-26(32-33)20-5-4-12-30-15-20/h4-16,29H,1-3H3/b21-13-,29-24-InChIKey
KIXQPJWZJWOISI-AIFZOKMXSA-NSynonyms
844446-97-5(Z)4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4isopropylbenzoate
4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4(propan2yl)benzoate
844446975
COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04154942
ZINC000101091543
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