Vitas-M small molecule compound
pentyl [(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Catalog ID
STK553256
SMILES CCCCCOC(=O)CSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1
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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 C21H28N4O3S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S2/c1-5-7-8-9-27-16(26)12-29-20-24-23-18-17-13-10-21(3,4)28-11-14(13)30-19(17)22-15(6-2)25(18)20/h5-12H2,1-4H3InChIKey
UBXUNBUFZHIPCK-UHFFFAOYSA-NSynonyms
799790-42-4799790424
CCCCCOC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)COC(C4)(C)C)CC
InChI=1SC21H28N4O3S2c157892716(26)12292024231817131021(34)281114(13)3019(17)2215(62)25(18)20h512H214H3
MFCD03675953
pentyl((5ethyl1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
pentyl2((5ethyl1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
ZINC000002214857
ZINC02214857
ZINC2214857
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