Vitas-M small molecule compound
pentyl {[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Catalog ID
STK541412
SMILES CCCCCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3
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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 C26H30N4O3S2 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3S2/c1-2-3-9-16-33-21(31)17-34-26-28-27-25-29(15-14-18-10-5-4-6-11-18)23(32)22-19-12-7-8-13-20(19)35-24(22)30(25)26/h4-6,10-11H,2-3,7-9,12-17H2,1H3InChIKey
BRJBMQIQSXXGNM-UHFFFAOYSA-NSynonyms
497078-06-5497078065
CCCCCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5
InChI=1SC26H30N4O3S2c1239163321(31)17342628272529(151418105461118)23(32)221912781320(19)3524(22)30(25)26h461011H23791217H21H3
MFCD03299364
pentyl((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
pentyl2((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
ZINC000002311771
ZINC02311771
ZINC2311771
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