Vitas-M small molecule compound
N-{[3-chloro-4-(2-oxo-2H-chromen-3-yl)phenyl]carbamothioyl}-4-(morpholin-4-yl)-3-nitrobenzamide
Catalog ID
STK347254
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)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 C27H21ClN4O6S MW 565.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O6S/c28-21-15-18(6-7-19(21)20-13-16-3-1-2-4-24(16)38-26(20)34)29-27(39)30-25(33)17-5-8-22(23(14-17)32(35)36)31-9-11-37-12-10-31/h1-8,13-15H,9-12H2,(H2,29,30,33,39)InChIKey
DDLXFTRTOSMLJT-UHFFFAOYSA-NSynonyms
C1COCCN1C2=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=1SC27H21ClN4O6Sc28211518(6719(21)201316312424(16)3826(20)34)2927(39)3025(33)175822(23(1417)32(35)36)3191137121031h181315H912H2(H229303339)
MFCD06622948
N((3chloro4(2oxo2Hchromen3yl)phenyl)carbamothioyl)4(morpholin4yl)3nitrobenzamide
N((3CHLORO4(2OXOCHROMEN3YL)PHENYL)CARBAMOTHIOYL)4MORPHOLIN4YL3NITROBENZAMIDE
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)Nc1ccc(c(c1)Cl)c1cc2ccccc2oc1=O
ZINC000059612401
ZINC59612401
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