Vitas-M small molecule compound
3-nitro-4-({2-[(3-nitro-2-oxo-2H-chromen-4-yl)(phenyl)amino]ethyl}sulfanyl)-2H-chromen-2-one
Catalog ID
STK332620
SMILES [O-][N+](=O)c1c(=O)oc2c(c1SCCN(c1c([N+](=O)[O-])c(=O)oc3c1cccc3)c1ccccc1)cccc2
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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 C26H17N3O8S MW 531.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O8S/c30-25-22(28(32)33)21(17-10-4-6-12-19(17)36-25)27(16-8-2-1-3-9-16)14-15-38-24-18-11-5-7-13-20(18)37-26(31)23(24)29(34)35/h1-13H,14-15H2InChIKey
SIUASXHZOQGLNQ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1c(=O)oc2c(c1SCCN(c1c((N+)(=O)(O))c(=O)oc3c1cccc3)c1ccccc1)cccc2
3nitro4((2((3nitro2oxo2Hchromen4yl)(phenyl)amino)ethyl)sulfanyl)2Hchromen2one
3nitro4(N(2(3nitro2oxochromen4yl)sulfanylethyl)anilino)chromen2one
C1=CC=C(C=C1)N(CCSC2=C(C(=O)OC3=CC=CC=C32)(N+)(=O)(O))C4=C(C(=O)OC5=CC=CC=C54)(N+)(=O)(O)
InChI=1SC26H17N3O8Sc302522(28(32)33)21(1710461219(17)3625)27(168213916)141538241811571320(18)3726(31)23(24)29(34)35h113H1415H2
MFCD09962802
ZINC000102043407
ZINC102043407
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