Vitas-M small molecule compound
3-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-6-nitro-2H-chromen-2-one
Catalog ID
STK003026
SMILES COc1ccccc1Nc1nnc(s1)c1cc2cc(ccc2oc1=O)[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 C18H12N4O5S MW 396.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O5S/c1-26-15-5-3-2-4-13(15)19-18-21-20-16(28-18)12-9-10-8-11(22(24)25)6-7-14(10)27-17(12)23/h2-9H,1H3,(H,19,21)InChIKey
GPDACYPWYZGONG-UHFFFAOYSA-NSynonyms
3(5((2METHOXYPHENYL)AMINO)134THIADIAZOL2YL)6NITRO2HCHROMEN2ONE
3(5(2METHOXYANILINO)134THIADIAZOL2YL)6NITROCHROMEN2ONE
COC1=CC=CC=C1NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
COc1ccccc1Nc1nnc(s1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
InChI=1SC18H12N4O5Sc12615532413(15)1918212016(2818)12910811(22(24)25)6714(10)2717(12)23h29H1H3(H1921)
MFCD08049085
STK003026
ZINC000002956116
ZINC02956116
ZINC2956116
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