Vitas-M small molecule compound
N,N-dibutyl-2-{[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}acetamide
Catalog ID
STK590863
SMILES CCCCN(C(=O)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C)CCCC
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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 C28H36N6O2S MW 520.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N6O2S/c1-5-7-14-33(15-8-6-2)24(35)19-37-27-32-31-26-23-18-36-28(3,4)16-21(23)22(17-29)25(34(26)27)30-20-12-10-9-11-13-20/h9-13,30H,5-8,14-16,18-19H2,1-4H3InChIKey
BUYWKMPXLDOJSZ-UHFFFAOYSA-NSynonyms
900271-91-2900271912
CCCCN(CCCC)C(=O)CSC1=NN=C2N1C(=C(C3=C2COC(C3)(C)C)C#N)NC4=CC=CC=C4
InChI=1SC28H36N6O2Sc1571433(15862)24(35)19372732312623183628(34)1621(23)22(1729)25(34(26)27)302012109111320h91330H5814161819H214H3
MFCD06773849
NNdibutyl2((6cyano88dimethyl5(phenylamino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridin3yl)sulfanyl)acetamide
NNdibutyl2((6cyano88dimethyl5(phenylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridin3yl)thio)acetamide
ZINC000009579998
ZINC09579998
ZINC9579998
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