Vitas-M small molecule compound

N,N-dimethyl-4-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline

Catalog ID
STK599876
SMILES CN(c1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)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 C21H23N5OS MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS/c1-12-22-20-17(15-10-21(2,3)27-11-16(15)28-20)19-23-18(24-26(12)19)13-6-8-14(9-7-13)25(4)5/h6-9H,10-11H2,1-5H3
InChIKey
DILRFCNXZPAWRU-UHFFFAOYSA-N
Synonyms
896070-38-5
896070385
CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)C5=CC=C(C=C5)N(C)C
InChI=1SC21H23N5OSc112222017(151021(23)271116(15)2820)192318(2426(12)19)136814(9713)25(4)5h69H1011H215H3
MFCD06592074
NNdimethyl4(51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(15c)pyrimidin2yl)aniline
ZINC000002436941
ZINC02436941
ZINC2436941

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.