Vitas-M small molecule compound
4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide
Catalog ID
STL197827
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)NCCSCc1ccc(c(c1)Cl)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 C16H13Cl3N2O3S MW 419.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N2O3S/c17-12-3-1-10(7-14(12)19)9-25-6-5-20-16(22)11-2-4-13(18)15(8-11)21(23)24/h1-4,7-8H,5-6,9H2,(H,20,22)InChIKey
TVHRHNORTBXMKZ-UHFFFAOYSA-NSynonyms
4chloroN(2((34dichlorobenzyl)sulfanyl)ethyl)3nitrobenzamide
4CHLORON(2((34DICHLOROPHENYL)METHYLSULFANYL)ETHYL)3NITROBENZAMIDE
C1=CC(=C(C=C1CSCCNC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))Cl)Cl
InChI=1SC16H13Cl3N2O3Sc17123110(714(12)19)925652016(22)112413(18)15(811)21(23)24h1478H569H2(H2022)
MFCD03696589
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)NCCSCc1ccc(c(c1)Cl)Cl
ZINC000002984753
ZINC02984753
ZINC2984753
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