Vitas-M small molecule compound
2-{[4-(4-methoxyphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-ium-1-yl]sulfanyl}propanoate
Catalog ID
STL147525
SMILES COc1ccc(cc1)n1c(=O)c2c3CC(OCc3sc2n2c1n[nH+]c2SC(C(=O)[O-])C)C(C)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 C23H24N4O5S2 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O5S2/c1-11(2)16-9-15-17(10-32-16)34-20-18(15)19(28)26(13-5-7-14(31-4)8-6-13)22-24-25-23(27(20)22)33-12(3)21(29)30/h5-8,11-12,16H,9-10H2,1-4H3,(H,29,30)InChIKey
NBKHINYPHZYFRD-UHFFFAOYSA-NSynonyms
371931-32-72((4(4methoxyphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin2ium1yl)sulfanyl)propanoate
371931327
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=(N+)3C(=NN4)SC(C)C(=O)(O))C5=CC=C(C=C5)OC
COc1ccc(cc1)n1c(=O)c2c3CC(OCc3sc2n2c1n(nH+)c2SC(C(=O)(O))C)C(C)C
InChI=1SC23H24N4O5S2c111(2)1691517(103216)342018(15)19(28)26(135714(314)8613)22242523(27(20)22)3312(3)21(29)30h58111216H910H214H3(H2930)
MFCD03007451
ZINC000002313658
ZINC000002313661
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