Vitas-M small molecule compound
ethyl {[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}(phenyl)acetate
Catalog ID
STK573697
SMILES CCOC(=O)C(c1ccccc1)Sc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-4-35-26(34)23(18-11-7-5-8-12-18)37-27-32-31-25-22-17-36-28(2,3)15-20(22)21(16-29)24(33(25)27)30-19-13-9-6-10-14-19/h5-14,23,30H,4,15,17H2,1-3H3InChIKey
UOOPVOAJJCDKLH-UHFFFAOYSA-NSynonyms
900889-03-4900889034
CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C3N2C(=C(C4=C3COC(C4)(C)C)C#N)NC5=CC=CC=C5
ethyl((6cyano88dimethyl5(phenylamino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridin3yl)sulfanyl)(phenyl)acetate
ethyl2((6cyano88dimethyl5(phenylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridin3yl)thio)2phenylacetate
InChI=1SC28H27N5O3Sc143526(34)23(18117581218)372732312522173628(23)1520(22)21(1629)24(33(25)27)30191396101419h5142330H41517H213H3
MFCD06779340
ZINC000009488367
ZINC000009488369
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