Vitas-M small molecule compound

4-chloro-3,5-dimethylphenyl 2-[(4-nitrophenyl)sulfanyl]benzoate

Catalog ID
STK388542
SMILES O=C(c1ccccc1Sc1ccc(cc1)[N+](=O)[O-])Oc1cc(C)c(c(c1)C)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 C21H16ClNO4S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO4S/c1-13-11-16(12-14(2)20(13)22)27-21(24)18-5-3-4-6-19(18)28-17-9-7-15(8-10-17)23(25)26/h3-12H,1-2H3
InChIKey
UGTRGPYZGBYHKW-UHFFFAOYSA-N
Synonyms
519041-69-1
(4CHLORO35DIMETHYLPHENYL)2(4NITROPHENYL)SULFANYLBENZOATE
4chloro35dimethylphenyl2((4nitrophenyl)sulfanyl)benzoate
519041691
CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H16ClNO4Sc1131116(1214(2)20(13)22)2721(24)18534619(18)28179715(81017)23(25)26h312H12H3
MFCD03164415
O=C(c1ccccc1Sc1ccc(cc1)(N+)(=O)(O))Oc1cc(C)c(c(c1)C)Cl
ZINC000001860211
ZINC01860211
ZINC1860211

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Available files

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