Vitas-M small molecule compound
ethyl 4-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]butanoate
Catalog ID
STK599320
SMILES CCOC(=O)CCCSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)CC
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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 C20H24N6O3S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O3S2/c1-4-20(3)9-12-13(10-29-20)31-17-15(12)16-21-11-22-26(16)18-23-24-19(25(17)18)30-8-6-7-14(27)28-5-2/h11H,4-10H2,1-3H3InChIKey
NKWWYCPTPCKJLD-UHFFFAOYSA-NSynonyms
877808-04-3877808043
CCC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCCCC(=O)OCC)C
ethyl4((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)butanoate
ethyl4((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)butanoate
InChI=1SC20H24N6O3S2c1420(3)91213(102920)311715(12)1621112226(16)18232419(25(17)18)3086714(27)2852h11H410H213H3
MFCD05705803
ZINC000009346405
ZINC000009346406
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