Vitas-M small molecule compound
4-chloro-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide
Catalog ID
STL253724
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)NCCSCc1c(Cl)cccc1Cl
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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 C16H13Cl3N2O3S MW 419.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N2O3S/c17-12-2-1-3-13(18)11(12)9-25-7-6-20-16(22)10-4-5-14(19)15(8-10)21(23)24/h1-5,8H,6-7,9H2,(H,20,22)InChIKey
VMXCEZQZUVMFJY-UHFFFAOYSA-NSynonyms
4chloroN(2((26dichlorobenzyl)sulfanyl)ethyl)3nitrobenzamide
4CHLORON(2((26DICHLOROPHENYL)METHYLSULFANYL)ETHYL)3NITROBENZAMIDE
C1=CC(=C(C(=C1)Cl)CSCCNC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))Cl
InChI=1SC16H13Cl3N2O3Sc171221313(18)11(12)925762016(22)104514(19)15(810)21(23)24h158H679H2(H2022)
MFCD03558333
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)NCCSCc1c(Cl)cccc1Cl
ZINC000002813386
ZINC02813386
ZINC2813386
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