Vitas-M small molecule compound
N-{[3-chloro-4-(2-oxo-2H-chromen-3-yl)phenyl]carbamothioyl}-3-nitro-4-(piperidin-1-yl)benzamide
Catalog ID
STK398886
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)Nc1ccc(c(c1)Cl)c1cc2ccccc2oc1=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 C28H23ClN4O5S MW 563.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN4O5S/c29-22-16-19(9-10-20(22)21-14-17-6-2-3-7-25(17)38-27(21)35)30-28(39)31-26(34)18-8-11-23(24(15-18)33(36)37)32-12-4-1-5-13-32/h2-3,6-11,14-16H,1,4-5,12-13H2,(H2,30,31,34,39)InChIKey
COLUWPJXXXGWMH-UHFFFAOYSA-NSynonyms
C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl)(N+)(=O)(O)
InChI=1SC28H23ClN4O5Sc29221619(91020(22)211417623725(17)3827(21)35)3028(39)3126(34)1881123(24(1518)33(36)37)32124151332h236111416H1451213H2(H230313439)
MFCD07145388
N((3chloro4(2oxo2Hchromen3yl)phenyl)carbamothioyl)3nitro4(piperidin1yl)benzamide
N((3chloro4(2oxochromen3yl)phenyl)carbamothioyl)3nitro4piperidin1ylbenzamide
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)Nc1ccc(c(c1)Cl)c1cc2ccccc2oc1=O
ZINC000101920794
ZINC101920794
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