Vitas-M small molecule compound

4-bromo-2-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate

Catalog ID
STK015573
SMILES Brc1ccc(c(c1)C(=S)N1CCOCC1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C18H14BrClN2O5S MW 485.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrClN2O5S/c19-12-2-4-16(13(10-12)17(28)21-5-7-26-8-6-21)27-18(23)11-1-3-14(20)15(9-11)22(24)25/h1-4,9-10H,5-8H2
InChIKey
JYJNKXUDYAOLMV-UHFFFAOYSA-N
Synonyms

(4BROMO2(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
4BROMO2(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
4BROMO2(MORPHOLIN4YLCARBOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
Brc1ccc(c(c1)C(=S)N1CCOCC1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC18H14BrClN2O5Sc19122416(13(1012)17(28)2157268621)2718(23)111314(20)15(911)22(24)25h14910H58H2
MFCD02904256
STK015573
ZINC000001160707
ZINC01160707
ZINC1160707

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Available files

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