Vitas-M small molecule compound
methyl 3-{[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Catalog ID
STK767478
SMILES COC(=O)CCSc1cc(cc2c1c(nn2c1ccccc1)C1OCCS1)[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 C20H19N3O5S2 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S2/c1-27-17(24)7-9-29-16-12-14(23(25)26)11-15-18(16)19(20-28-8-10-30-20)21-22(15)13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3InChIKey
KOIQELYDMNKNLV-UHFFFAOYSA-NSynonyms
COC(=O)CCSC1=C2C(=CC(=C1)(N+)(=O)(O))N(N=C2C3OCCS3)C4=CC=CC=C4
COC(=O)CCSc1cc(cc2c1c(nn2c1ccccc1)C1OCCS1)(N+)(=O)(O)
InChI=1SC20H19N3O5S2c12717(24)7929161214(23(25)26)111518(16)19(20288103020)2122(15)135324613h26111220H710H21H3
methyl3((6nitro3(13oxathiolan2yl)1phenyl1Hindazol4yl)sulfanyl)propanoate
METHYL3(6NITRO3(13OXATHIOLAN2YL)1PHENYL1HINDAZOL4YLTHIO)PROPANOATE
METHYL3(6NITRO3(13OXATHIOLAN2YL)1PHENYLINDAZOL4YL)SULFANYLPROPANOATE
MFCD03034575
ZINC000001102673
ZINC000001102674
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