Vitas-M small molecule compound
4-ethyl-1-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720477
SMILES CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1)[N+](=O)[O-]
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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 C20H19N5O3S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S2/c1-2-23-17(26)16-14-5-3-4-6-15(14)30-18(16)24-19(23)21-22-20(24)29-11-12-7-9-13(10-8-12)25(27)28/h7-10H,2-6,11H2,1H3InChIKey
HUJIRYVSXQXJDE-UHFFFAOYSA-NSynonyms
578697-76-44ethyl1((4nitrobenzyl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4ethyl1((4nitrobenzyl)thio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
578697764
CCN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=C(C=C4)(N+)(=O)(O))SC5=C2CCCC5
CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H19N5O3S2c122317(26)1614534615(14)3018(16)2419(23)212220(24)2911127913(10812)25(27)28h710H2611H21H3
MFCD04029018
ZINC000002386124
ZINC02386124
ZINC2386124
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